------------------------------------------------------------------------ species N2 # Vibr # Elct # Othr 10 13 1 mol wt stat. wt. 27.794 1. CAR: 2.43e-4 1.04 4 / N2_MOMXFR N pairs scale 60 1. E Q E Q E Q 0.0000E+00 1.1000E+00 1.0000E-03 1.3600E+00 2.0000E-03 1.4900E+00 3.0000E-03 1.6200E+00 5.0000E-03 1.8100E+00 7.0000E-03 2.0000E+00 8.5000E-03 2.1000E+00 1.0000E-02 2.1900E+00 1.5000E-02 2.5500E+00 2.0000E-02 2.8500E+00 3.0000E-02 3.4000E+00 4.0000E-02 3.8500E+00 5.0000E-02 4.3300E+00 7.0000E-02 5.1000E+00 1.0000E-01 5.9500E+00 1.2000E-01 6.4500E+00 1.5000E-01 7.1000E+00 1.7000E-01 7.4000E+00 2.0000E-01 7.9000E+00 2.5000E-01 8.5000E+00 3.0000E-01 9.0000E+00 3.5000E-01 9.4000E+00 4.0000E-01 9.7000E+00 5.0000E-01 9.9000E+00 7.0000E-01 1.0000E+01 1.0000E+00 1.0000E+01 1.2000E+00 1.0400E+01 1.3000E+00 1.1000E+01 1.5000E+00 1.2000E+01 1.7000E+00 1.3800E+01 1.9000E+00 1.9600E+01 2.1000E+00 2.7000E+01 2.2000E+00 2.8500E+01 2.5000E+00 3.0000E+01 2.8000E+00 2.8000E+01 3.0000E+00 2.1700E+01 3.3000E+00 1.7200E+01 3.6000E+00 1.4700E+01 4.0000E+00 1.2600E+01 4.5000E+00 1.1300E+01 5.0000E+00 1.0900E+01 6.0000E+00 1.0400E+01 7.0000E+00 1.0100E+01 8.0000E+00 1.0000E+01 1.0000E+01 1.0400E+01 1.2000E+01 1.0900E+01 1.5000E+01 1.1000E+01 1.7000E+01 1.0700E+01 2.0000E+01 1.0200E+01 2.5000E+01 9.5000E+00 3.0000E+01 9.0000E+00 5.0000E+01 8.6000E+00 7.5000E+01 6.6000E+00 1.0000E+02 5.8000E+00 1.5000E+02 4.9000E+00 2.0000E+02 4.2000E+00 3.0000E+02 3.3000E+00 5.0000E+02 2.4400E+00 7.0000E+02 1.9600E+00 1.0000E+03 1.5500E+00 N2_ROEXC_CAR Energy Stat Wt N Scale Factor 2.000000E-02 1.000000 28 1.000000 E Q E Q E Q 0.0000E+00 0.0000E+00 2.0000E-02 0.0000E+00 3.0000E-02 0.0000E+00 4.0000E-01 0.0000E+00 8.0000E-01 0.0000E+00 1.2000E+00 6.0000E-02 1.6000E+00 1.8000E-01 1.7000E+00 2.3000E-01 1.8000E+00 4.0000E-01 1.9000E+00 1.4100E+00 2.0000E+00 5.1300E+00 2.1000E+00 5.4200E+00 2.2000E+00 5.1400E+00 2.3000E+00 6.9000E+00 2.4000E+00 6.0400E+00 2.5000E+00 6.4500E+00 2.6000E+00 5.1000E+00 2.7000E+00 4.2400E+00 2.8000E+00 3.7500E+00 2.9000E+00 2.1100E+00 3.0000E+00 2.3200E+00 3.1000E+00 1.9400E+00 3.2000E+00 1.4000E+00 3.3000E+00 9.4000E-01 3.6000E+00 3.8000E-01 5.0000E+00 0.0000E+00 2.0000E+01 0.0000E+00 1.0000E+03 0.0000E+00 N2_VIBEXC_0.29 2.900000E-01 1.000000 30 1.000000 0.0000E+00 0.0000E+00 2.9000E-01 0.0000E+00 3.0000E-01 1.0000E-03 3.3000E-01 1.7000E-03 4.0000E-01 2.5000E-03 7.5000E-01 3.7000E-03 9.0000E-01 5.5000E-03 1.0000E+00 6.5000E-03 1.1000E+00 9.0000E-03 1.1600E+00 1.1000E-02 1.2000E+00 1.2500E-02 1.2200E+00 1.3500E-02 1.4000E+00 7.0000E-02 1.5000E+00 1.0000E-01 1.6000E+00 1.5000E-01 1.6500E+00 0.0000E+00 3.6000E+00 0.0000E+00 4.0000E+00 5.5000E-02 5.0000E+00 3.5000E-02 1.5000E+01 3.5000E-02 1.8000E+01 4.0000E-02 2.0000E+01 6.5000E-02 2.2000E+01 8.5000E-02 2.3000E+01 8.5000E-02 2.5000E+01 6.0000E-02 2.9000E+01 3.0000E-02 3.2000E+01 1.5000E-02 5.0000E+01 1.2000E-02 8.0000E+01 0.0000E+00 1.0000E+03 0.0000E+00 N2_VIBEXC_0.291 2.910000E-01 1.000000 28 1.000000 0.0000E+00 0.0000E+00 2.9100E-01 0.0000E+00 1.6000E+00 0.0000E+00 1.6500E+00 2.7000E-01 1.7000E+00 3.1500E-01 1.8000E+00 5.4000E-01 1.9000E+00 1.4850E+00 2.0000E+00 4.8000E+00 2.1000E+00 2.5650E+00 2.2000E+00 1.2000E+00 2.3000E+00 4.5000E+00 2.4000E+00 2.7600E+00 2.5000E+00 1.5900E+00 2.6000E+00 3.1500E+00 2.7000E+00 1.5450E+00 2.7500E+00 6.0000E-01 2.8000E+00 1.3500E+00 2.9000E+00 5.2500E-01 3.0000E+00 8.7000E-01 3.1000E+00 1.1700E+00 3.2000E+00 8.5500E-01 3.3000E+00 6.6000E-01 3.4000E+00 6.0000E-01 3.5000E+00 8.5800E-01 3.6000E+00 5.7000E-01 4.0000E+00 0.0000E+00 1.0000E+02 0.0000E+00 1.0000E+03 0.0000E+00 N2_VIBEXC_0.59 5.900000E-01 1.000000 24 1.000000 0.0000E+00 0.0000E+00 5.9000E-01 0.0000E+00 1.7000E+00 0.0000E+00 1.8000E+00 1.5000E-02 1.9000E+00 6.3000E-01 2.0000E+00 1.9350E+00 2.1000E+00 3.3000E+00 2.2000E+00 1.4700E+00 2.3000E+00 5.4000E-01 2.4000E+00 2.1150E+00 2.5000E+00 3.0000E+00 2.6000E+00 5.4000E-01 2.7000E+00 1.0500E+00 2.7500E+00 1.7250E+00 2.8000E+00 1.2750E+00 2.9000E+00 3.3000E-01 3.0000E+00 9.0000E-01 3.1000E+00 6.4500E-01 3.2000E+00 3.7500E-01 3.3000E+00 3.4500E-01 3.4000E+00 3.0000E-01 3.5000E+00 2.1300E-01 3.6000E+00 0.0000E+00 1.0000E+03 0.0000E+00 N2_VIBEXC_0.88 8.800000E-01 1.000000 20 1.000000 0.0000E+00 0.0000E+00 8.8000E-01 0.0000E+00 1.9000E+00 0.0000E+00 2.0000E+00 9.6000E-01 2.1000E+00 2.0550E+00 2.2000E+00 2.7000E+00 2.3000E+00 1.6950E+00 2.4000E+00 7.5000E-02 2.5000E+00 9.6000E-01 2.6000E+00 1.4700E+00 2.7000E+00 4.5000E-01 2.7500E+00 9.6000E-01 2.8000E+00 5.4000E-01 2.9000E+00 8.5500E-01 3.0000E+00 4.0500E-01 3.1000E+00 2.8200E-01 3.2000E+00 2.9100E-01 3.3000E+00 6.1500E-02 3.4000E+00 0.0000E+00 1.0000E+03 0.0000E+00 N2_VIBEXC_1.17 1.170000 1.000000 18 1.000000 0.0000E+00 0.0000E+00 1.1700E+00 0.0000E+00 2.0000E+00 0.0000E+00 2.1000E+00 2.0250E-01 2.2000E+00 1.5150E+00 2.3000E+00 2.3850E+00 2.4000E+00 1.4400E+00 2.5000E+00 5.5500E-01 2.6000E+00 8.2500E-02 2.7000E+00 1.2000E+00 2.7500E+00 1.0950E+00 2.8000E+00 6.7500E-01 2.9000E+00 3.0000E-02 3.0000E+00 3.3000E-01 3.1000E+00 3.1500E-01 3.2000E+00 6.0000E-02 3.3000E+00 0.0000E+00 1.0000E+03 0.0000E+00 N2_VIBEXC_1.47 1.470000 1.000000 18 1.000000 0.0000E+00 0.0000E+00 1.4700E+00 0.0000E+00 2.1000E+00 0.0000E+00 2.2000E+00 8.2500E-01 2.3000E+00 1.2300E+00 2.4000E+00 1.5300E+00 2.5000E+00 1.4400E+00 2.6000E+00 3.4500E-01 2.7000E+00 2.2500E-02 2.7500E+00 3.4500E-01 2.8000E+00 5.4000E-01 2.9000E+00 6.6000E-01 3.0000E+00 2.1750E-01 3.1000E+00 1.0500E-01 3.2000E+00 3.1500E-01 3.3000E+00 1.0350E-01 3.4000E+00 0.0000E+00 1.0000E+03 0.0000E+00 N2_VIBEXC_1.76 1.760000 1.000000 16 1.000000 0.0000E+00 0.0000E+00 1.7600E+00 0.0000E+00 2.2000E+00 0.0000E+00 2.3000E+00 6.3000E-03 2.4000E+00 1.1250E+00 2.5000E+00 1.7400E+00 2.6000E+00 1.3800E+00 2.7000E+00 7.8000E-01 2.7500E+00 4.5000E-01 2.8000E+00 3.1500E-01 2.9000E+00 2.4600E-01 3.0000E+00 4.8000E-01 3.1000E+00 1.6350E-01 3.2000E+00 0.0000E+00 1.0000E+02 0.0000E+00 1.0000E+03 0.0000E+00 N2_VIBEXC_2.06 2.060000 1.000000 18 1.000000 0.0000E+00 0.0000E+00 2.0600E+00 0.0000E+00 2.3000E+00 0.0000E+00 2.4000E+00 1.2600E-02 2.5000E+00 3.9000E-01 2.6000E+00 6.6000E-01 2.7000E+00 9.6000E-01 2.7500E+00 7.9500E-01 2.8000E+00 6.0000E-01 2.9000E+00 1.8000E-01 3.0000E+00 6.3000E-03 3.1000E+00 1.9200E-01 3.2000E+00 2.0400E-01 3.3000E+00 7.8000E-02 3.4000E+00 1.8900E-02 3.5000E+00 0.0000E+00 1.0000E+02 0.0000E+00 1.0000E+03 0.0000E+00 N2_VIBEXC_2.35 2.350000 1.000000 16 1.000000 0.0000E+00 0.0000E+00 2.3500E+00 0.0000E+00 2.5000E+00 0.0000E+00 2.6000E+00 1.8900E-02 2.7000E+00 3.6000E-01 2.7500E+00 3.6000E-01 2.8000E+00 3.3000E-01 2.9000E+00 3.4500E-01 3.0000E+00 2.6400E-01 3.1000E+00 3.7500E-02 3.2000E+00 6.3000E-03 3.3000E+00 1.5450E-01 3.4000E+00 2.5200E-02 3.5000E+00 0.0000E+00 1.0000E+02 0.0000E+00 1.0000E+03 0.0000E+00 N2_EXC_6.17 A[3]sigma{u}[+] v=0-4 6.170000 3.000000 26 1.000000 0.0000E+00 0.0000E+00 6.1700E+00 0.0000E+00 7.0000E+00 1.0000E-03 7.8000E+00 2.8000E-03 8.5000E+00 4.3000E-03 9.0000E+00 5.7000E-03 1.0000E+01 8.2000E-03 1.1000E+01 1.0000E-02 1.2000E+01 1.2000E-02 1.3000E+01 1.3000E-02 1.4000E+01 1.4000E-02 1.6000E+01 1.5000E-02 1.7000E+01 1.5000E-02 1.8000E+01 1.4000E-02 2.0000E+01 1.2000E-02 2.2000E+01 1.0000E-02 2.4000E+01 8.9000E-03 2.6000E+01 7.6000E-03 3.0000E+01 5.9000E-03 3.4000E+01 4.9000E-03 4.0000E+01 3.9000E-03 5.0000E+01 3.4000E-03 7.0000E+01 7.0000E-04 1.5000E+02 0.0000E+00 5.0000E+02 0.0000E+00 1.0000E+03 0.0000E+00 N2_EXC_7.00 A[3]sigma{u}[+] v=5-9 7.000000 3.000000 26 1.000000 0.0000E+00 0.0000E+00 7.0000E+00 0.0000E+00 7.3000E+00 2.0000E-03 7.8000E+00 5.0000E-03 8.5000E+00 1.5000E-02 9.0000E+00 2.2000E-02 1.0000E+01 3.4000E-02 1.1000E+01 4.3000E-02 1.2000E+01 5.0000E-02 1.2000E+01 5.5000E-02 1.4000E+01 6.0000E-02 1.6000E+01 6.5000E-02 1.7000E+01 6.5000E-02 1.8000E+01 6.2000E-02 2.0000E+01 5.3000E-02 2.2000E+01 4.5000E-02 2.4000E+01 3.8000E-02 2.6000E+01 3.3000E-02 3.0000E+01 2.5000E-02 3.4000E+01 2.1000E-02 4.0000E+01 1.7000E-02 5.0000E+01 1.4000E-02 7.0000E+01 2.9000E-03 1.5000E+02 0.0000E+00 5.0000E+02 0.0000E+00 1.0000E+03 0.0000E+00 N2_EXC_7.35 B[3]pi{g} 7.350000 9.000000 24 1.000000 0.0000E+00 0.0000E+00 7.3500E+00 0.0000E+00 8.0000E+00 3.6200E-02 9.0000E+00 9.3800E-02 1.0000E+01 1.5080E-01 1.1000E+01 1.8630E-01 1.2000E+01 2.0030E-01 1.3000E+01 1.9900E-01 1.4000E+01 1.8160E-01 1.5000E+01 1.6150E-01 1.6000E+01 1.4470E-01 1.7000E+01 1.3070E-01 1.8000E+01 1.1990E-01 2.0000E+01 1.1120E-01 2.2000E+01 9.5100E-02 2.6000E+01 8.0400E-02 3.0000E+01 6.7700E-02 3.4000E+01 5.6300E-02 4.0000E+01 4.2900E-02 5.0000E+01 2.6800E-02 7.0000E+01 6.7000E-03 1.5000E+02 0.0000E+00 5.0000E+02 0.0000E+00 1.0000E+03 0.0000E+00 N2_EXC_7.36 W[3]delta 7.360000 15.000000 26 1.000000 0.0000E+00 0.0000E+00 7.3600E+00 0.0000E+00 8.0000E+00 1.8100E-02 9.0000E+00 4.9600E-02 1.0000E+01 8.0400E-02 1.1000E+01 1.1120E-01 1.2000E+01 1.4270E-01 1.4000E+01 2.0500E-01 1.5000E+01 2.3520E-01 1.6000E+01 2.5460E-01 1.7000E+01 2.5190E-01 1.8000E+01 2.3450E-01 2.0000E+01 1.7760E-01 2.2000E+01 1.3200E-01 2.4000E+01 1.0250E-01 2.6000E+01 8.4400E-02 2.8000E+01 7.2400E-02 3.0000E+01 6.3000E-02 3.4000E+01 4.9600E-02 4.0000E+01 3.4800E-02 5.0000E+01 2.0100E-02 7.0000E+01 1.0100E-02 1.0000E+02 4.7000E-03 1.5000E+02 0.0000E+00 5.0000E+02 0.0000E+00 1.0000E+03 0.0000E+00 N2_EXC_7.80 A[3]sigma{u}[+] v>10 7.800000 3.000000 26 1.000000 0.0000E+00 0.0000E+00 7.8000E+00 0.0000E+00 8.1000E+00 1.5000E-03 8.5000E+00 4.0000E-03 8.7000E+00 7.0000E-03 9.0000E+00 1.1000E-02 1.0000E+01 2.9000E-02 1.1000E+01 4.4000E-02 1.2000E+01 5.1000E-02 1.3000E+01 5.6000E-02 1.4000E+01 6.0000E-02 1.6000E+01 6.6000E-02 1.7000E+01 6.7000E-02 1.8000E+01 6.3000E-02 2.0000E+01 5.4000E-02 2.2000E+01 4.6000E-02 2.4000E+01 3.9000E-02 2.6000E+01 3.3000E-02 3.0000E+01 2.6000E-02 3.4000E+01 2.1000E-02 4.0000E+01 1.7000E-02 5.0000E+01 1.5000E-02 7.0000E+01 3.0000E-03 1.5000E+02 0.0000E+00 5.0000E+02 0.0000E+00 1.0000E+03 0.0000E+00 N2_EXC_8.16 B'[3]sigma 8.160000 3.000000 24 1.000000 0.0000E+00 0.0000E+00 8.1600E+00 0.0000E+00 9.0000E+00 1.0700E-02 1.0000E+01 2.3500E-02 1.1000E+01 3.6900E-02 1.2000E+01 4.9600E-02 1.3000E+01 6.3000E-02 1.4000E+01 7.5700E-02 1.5000E+01 8.3800E-02 1.6000E+01 7.6400E-02 1.7000E+01 6.1600E-02 1.8000E+01 4.8900E-02 1.9000E+01 4.0900E-02 2.0000E+01 3.6200E-02 2.2000E+01 3.1500E-02 2.6000E+01 2.6800E-02 3.0000E+01 2.2800E-02 3.4000E+01 1.9400E-02 4.0000E+01 1.6100E-02 5.0000E+01 1.2700E-02 7.0000E+01 6.7000E-03 1.5000E+02 0.0000E+00 5.0000E+02 0.0000E+00 1.0000E+03 0.0000E+00 N2_EXC_8.40 a'[1]sigma 8.400000 1.000000 20 1.000000 0.0000E+00 0.0000E+00 8.4000E+00 0.0000E+00 9.0000E+00 6.7000E-03 1.1000E+01 3.0200E-02 1.3000E+01 5.3600E-02 1.4000E+01 6.4300E-02 1.5000E+01 6.9700E-02 1.6000E+01 5.7000E-02 1.7000E+01 4.2900E-02 1.8000E+01 3.4800E-02 1.9000E+01 3.0800E-02 2.0000E+01 2.7500E-02 2.4000E+01 2.0100E-02 3.0000E+01 1.5400E-02 4.0000E+01 1.2400E-02 5.0000E+01 1.2100E-02 7.0000E+01 1.0100E-02 1.5000E+02 6.7000E-03 5.0000E+02 0.0000E+00 1.0000E+03 0.0000E+00 N2_EXC_8.55 a[1]pi 8.550000 3.000000 24 1.000000 0.0000E+00 0.0000E+00 8.5500E+00 0.0000E+00 9.0000E+00 1.7000E-02 1.4000E+01 1.4740E-01 1.5000E+01 1.7150E-01 1.6000E+01 1.9160E-01 1.7000E+01 2.0230E-01 1.8000E+01 1.9900E-01 1.9000E+01 1.9230E-01 2.0000E+01 1.8490E-01 2.4000E+01 1.6210E-01 2.6000E+01 1.5280E-01 3.0000E+01 1.3670E-01 4.0000E+01 1.0650E-01 5.0000E+01 8.5100E-02 7.0000E+01 6.0300E-02 1.0000E+02 4.0200E-02 1.5000E+02 2.6800E-02 2.0000E+02 2.0100E-02 2.5000E+02 1.6100E-02 3.0000E+02 1.3400E-02 5.0000E+02 8.2000E-03 7.0000E+02 6.0000E-03 1.0000E+03 4.2000E-03 N2_EXC_8.89 w[1]delta 8.890000 5.000000 20 1.000000 0.0000E+00 0.0000E+00 8.8900E+00 0.0000E+00 9.0000E+00 1.3000E-03 1.0000E+01 2.6100E-02 1.1000E+01 4.7600E-02 1.2000E+01 6.6300E-02 1.3000E+01 7.8400E-02 1.4000E+01 7.7100E-02 1.5000E+01 6.7000E-02 1.6000E+01 5.4300E-02 1.7000E+01 4.4200E-02 1.8000E+01 3.7500E-02 2.0000E+01 2.8800E-02 2.2000E+01 2.4100E-02 3.0000E+01 1.5400E-02 3.8000E+01 9.4000E-03 5.0000E+01 4.7000E-03 1.5000E+02 0.0000E+00 5.0000E+02 0.0000E+00 1.0000E+03 0.0000E+00 N2_EXC_11.03 C[3]pi 11.030000 9.000000 30 1.000000 0.0000E+00 0.0000E+00 1.1030E+01 0.0000E+00 1.1500E+01 4.0500E-02 1.2000E+01 9.3000E-02 1.2500E+01 1.9650E-01 1.3000E+01 4.3500E-01 1.3500E+01 7.3500E-01 1.3800E+01 9.3000E-01 1.4000E+01 9.7500E-01 1.4200E+01 9.6000E-01 1.4500E+01 9.4500E-01 1.5000E+01 8.2500E-01 1.6000E+01 6.4500E-01 1.7000E+01 5.2500E-01 1.8000E+01 4.5000E-01 1.9000E+01 4.0500E-01 2.0000E+01 3.7500E-01 2.2000E+01 3.1500E-01 2.4000E+01 2.6550E-01 2.6000E+01 2.2500E-01 2.8000E+01 2.0850E-01 3.0000E+01 1.6650E-01 3.6000E+01 1.1700E-01 4.0000E+01 9.4500E-02 5.0000E+01 5.8500E-02 7.0000E+01 2.2500E-02 1.0000E+02 2.3000E-03 1.5000E+02 0.0000E+00 5.0000E+02 0.0000E+00 1.0000E+03 0.0000E+00 N2_EXC_11.88 E[3]sigma 11.880000 3.000000 17 1.000000 0.0000E+00 0.0000E+00 1.1870E+01 0.0000E+00 1.2700E+01 7.0000E-04 1.7000E+01 3.4000E-03 1.9000E+01 4.2000E-03 2.0000E+01 4.7000E-03 2.2000E+01 5.2000E-03 2.4000E+01 5.4000E-03 2.6000E+01 5.4000E-03 2.8000E+01 4.4000E-03 3.0000E+01 3.4000E-03 3.2000E+01 2.7000E-03 4.0000E+01 1.2000E-03 5.0000E+01 5.0000E-04 1.5000E+02 0.0000E+00 5.0000E+02 0.0000E+00 1.0000E+03 0.0000E+00 N2_EXC_12.25 a"[1]sigma 12.250000 1.000000 24 1.000000 0.0000E+00 0.0000E+00 1.2250E+01 0.0000E+00 1.3000E+01 5.4000E-03 1.5000E+01 1.8800E-02 1.6000E+01 2.4800E-02 1.7000E+01 3.0200E-02 1.8000E+01 3.4800E-02 1.9000E+01 3.8200E-02 2.0000E+01 3.8900E-02 2.2000E+01 3.4200E-02 2.4000E+01 2.7500E-02 2.6000E+01 2.2800E-02 3.0000E+01 1.5400E-02 3.6000E+01 1.1400E-02 4.0000E+01 1.0700E-02 5.0000E+01 9.0000E-03 7.0000E+01 6.8000E-03 1.0000E+02 5.0000E-03 1.5000E+02 3.6000E-03 2.0000E+02 2.9000E-03 3.0000E+02 2.0000E-03 5.0000E+02 1.3000E-03 7.0000E+02 1.0000E-03 1.0000E+03 8.0000E-04 N2_EXC_sum1 sum of singlets 13.000000 1.000000 22 1.000000 0.0000E+00 0.0000E+00 1.3000E+01 0.0000E+00 1.4000E+01 8.1000E-02 1.5000E+01 1.9000E-01 1.6000E+01 2.5000E-01 1.7000E+01 4.2000E-01 1.8000E+01 5.2000E-01 2.0000E+01 7.5000E-01 2.2000E+01 9.6000E-01 2.5000E+01 1.1900E+00 3.0000E+01 1.4800E+00 4.0000E+01 1.6500E+00 6.0000E+01 1.7600E+00 8.0000E+01 1.6800E+00 1.0000E+02 1.5800E+00 1.5000E+02 1.3300E+00 2.0000E+02 1.1600E+00 2.5000E+02 1.0500E+00 3.0000E+02 9.6000E-01 5.0000E+02 7.4000E-01 7.0000E+02 6.4000E-01 1.0000E+03 5.3000E-01 N2_ION 15.600000 1.000000 28 1.000000 0.0000E+00 0.0000E+00 1.5600E+01 0.0000E+00 1.6000E+01 2.1000E-02 1.6500E+01 4.6000E-02 1.7000E+01 7.1000E-02 1.7500E+01 9.8000E-02 1.8000E+01 1.2900E-01 1.8500E+01 1.6300E-01 1.9000E+01 1.9800E-01 1.9500E+01 2.2900E-01 2.0000E+01 2.6900E-01 2.1000E+01 3.4200E-01 2.2000E+01 4.1600E-01 2.3000E+01 4.9000E-01 2.5000E+01 6.3700E-01 3.0000E+01 1.0300E+00 3.4000E+01 1.2600E+00 4.5000E+01 1.7700E+00 6.0000E+01 2.1700E+00 7.5000E+01 2.3800E+00 1.0000E+02 2.5200E+00 1.5000E+02 2.4400E+00 2.0000E+02 2.2600E+00 3.0000E+02 1.9100E+00 5.0000E+02 1.4500E+00 7.0000E+02 1.1600E+00 1.0000E+03 9.2000E-01 1.5000E+03 8.0000E-01 ------------------------------------------------------------------------ species O2 # Vibr # Elct # Othr 7 7 3 mol wt g 31.9988 1. CAR: 1.78e-4 1.8 4 / O2_MOMXFR N pairs scale 54 3. 0.0000E+00 3.5000E-01 1.0000E-03 3.5000E-01 2.0000E-03 3.6000E-01 3.0000E-03 4.0000E-01 5.0000E-03 5.0000E-01 7.0000E-03 5.8000E-01 8.5000E-03 6.4000E-01 1.0000E-02 7.0000E-01 1.5000E-02 8.7000E-01 2.0000E-02 9.9000E-01 3.0000E-02 1.2400E+00 4.0000E-02 1.4400E+00 5.0000E-02 1.6000E+00 7.0000E-02 2.1000E+00 1.0000E-01 2.5000E+00 1.2000E-01 2.8000E+00 1.5000E-01 3.1000E+00 1.7000E-01 3.3000E+00 2.0000E-01 3.6000E+00 2.5000E-01 4.1000E+00 3.0000E-01 4.5000E+00 3.5000E-01 4.7000E+00 4.0000E-01 5.2000E+00 5.0000E-01 5.7000E+00 7.0000E-01 6.1000E+00 1.0000E+00 7.2000E+00 1.2000E+00 7.9000E+00 1.3000E+00 7.9000E+00 1.5000E+00 7.6000E+00 1.7000E+00 7.3000E+00 1.9000E+00 6.9000E+00 2.1000E+00 6.6000E+00 2.2000E+00 6.5000E+00 2.5000E+00 6.1000E+00 2.8000E+00 5.8000E+00 3.0000E+00 5.7000E+00 3.3000E+00 5.5000E+00 3.6000E+00 5.4500E+00 4.0000E+00 5.5000E+00 4.5000E+00 5.5500E+00 5.0000E+00 5.6000E+00 6.0000E+00 6.0000E+00 7.0000E+00 6.6000E+00 8.0000E+00 7.1000E+00 1.0000E+01 8.0000E+00 1.2000E+01 8.5000E+00 1.5000E+01 8.8000E+00 1.7000E+01 8.7000E+00 2.0000E+01 8.6000E+00 2.5000E+01 8.2000E+00 3.0000E+01 8.0000E+00 5.0000E+01 7.7000E+00 7.5000E+01 6.8000E+00 1.0000E+02 6.5000E+00 O2_ROEXC_0.02 2.000000E-02 1.000000 48 1.000000 0.0000E+00 0.0000E+00 6.7000E-03 0.0000E+00 7.0000E-02 0.0000E+00 8.0000E-02 5.4000E-03 1.0000E-01 0.0000E+00 2.0000E-01 0.0000E+00 2.1000E-01 2.1600E-02 2.2000E-01 0.0000E+00 3.2000E-01 0.0000E+00 3.3000E-01 3.8400E-02 3.5000E-01 0.0000E+00 4.4000E-01 0.0000E+00 4.5000E-01 5.4000E-02 4.7000E-01 0.0000E+00 5.6000E-01 0.0000E+00 5.7000E-01 6.7200E-02 5.9000E-01 0.0000E+00 6.8000E-01 0.0000E+00 6.9000E-01 8.0400E-02 7.1000E-01 0.0000E+00 7.9000E-01 0.0000E+00 8.0000E-01 9.3600E-02 8.1000E-01 0.0000E+00 9.0000E-01 0.0000E+00 9.1000E-01 8.4000E-02 9.3000E-01 0.0000E+00 1.0200E+00 0.0000E+00 1.0300E+00 7.2000E-02 1.0500E+00 0.0000E+00 1.1300E+00 0.0000E+00 1.1400E+00 4.6600E-02 1.1600E+00 0.0000E+00 1.2300E+00 0.0000E+00 1.2400E+00 6.0000E-02 1.2600E+00 0.0000E+00 1.3400E+00 0.0000E+00 1.3500E+00 3.6000E-02 1.3700E+00 0.0000E+00 1.4400E+00 0.0000E+00 1.4500E+00 2.4000E-02 1.4700E+00 0.0000E+00 1.5400E+00 0.0000E+00 1.5500E+00 1.2000E-02 1.5700E+00 0.0000E+00 1.6400E+00 0.0000E+00 1.6500E+00 4.8000E-03 1.6700E+00 0.0000E+00 1.0000E+02 0.0000E+00 O2_VIBEXC_0.19 1.900000E-01 1.000000 45 1.000000 0.0000E+00 0.0000E+00 1.9000E-01 0.0000E+00 2.0000E-01 1.0000E-03 2.1000E-01 1.0000E-03 2.3000E-01 0.0000E+00 3.2000E-01 0.0000E+00 3.3000E-01 4.1500E-01 3.5000E-01 0.0000E+00 4.4000E-01 0.0000E+00 4.5000E-01 1.3500E+00 4.7000E-01 0.0000E+00 5.6000E-01 0.0000E+00 5.7000E-01 1.8500E+00 5.9000E-01 0.0000E+00 6.8000E-01 0.0000E+00 6.9000E-01 1.6500E+00 7.1000E-01 0.0000E+00 7.9000E-01 0.0000E+00 8.0000E-01 1.0000E+00 8.2000E-01 0.0000E+00 9.0000E-01 0.0000E+00 9.1000E-01 6.0000E-01 9.3000E-01 0.0000E+00 1.0200E+00 0.0000E+00 1.0300E+00 2.8500E-01 1.0500E+00 0.0000E+00 1.1300E+00 0.0000E+00 1.1400E+00 1.1250E-01 1.1600E+00 0.0000E+00 1.2300E+00 0.0000E+00 1.2400E+00 4.7500E-02 1.2600E+00 0.0000E+00 1.3400E+00 0.0000E+00 1.3500E+00 1.6500E-02 1.3700E+00 0.0000E+00 1.4400E+00 0.0000E+00 1.4500E+00 5.5000E-03 1.4700E+00 0.0000E+00 1.5400E+00 0.0000E+00 1.5500E+00 2.0000E-03 1.5700E+00 0.0000E+00 1.6300E+00 0.0000E+00 1.6500E+00 7.0000E-04 1.6700E+00 0.0000E+00 1.0000E+03 0.0000E+00 O2_VIBEXC_0.19R 1.900000E-01 1.000000 16 1.000000 0.0000E+00 0.0000E+00 4.0000E+00 0.0000E+00 5.0000E+00 4.2000E-02 6.0000E+00 1.0000E-01 7.0000E+00 1.7600E-01 8.0000E+00 2.3100E-01 9.0000E+00 2.4700E-01 1.0000E+01 2.3400E-01 1.1000E+01 1.8600E-01 1.2000E+01 1.4300E-01 1.3000E+01 1.0200E-01 1.4000E+01 7.1000E-02 1.5000E+01 4.0000E-02 2.0000E+01 1.0000E-02 4.5000E+01 0.0000E+00 1.0000E+03 0.0000E+00 O2_VIBEXC_0.38 3.800000E-01 1.000000 39 1.000000 0.0000E+00 0.0000E+00 3.8000E-01 0.0000E+00 4.4000E-01 0.0000E+00 4.5000E-01 0.0000E+00 4.7000E-01 0.0000E+00 5.6000E-01 0.0000E+00 5.7000E-01 1.4000E-01 5.9000E-01 0.0000E+00 6.8000E-01 0.0000E+00 6.9000E-01 4.1500E-01 7.1000E-01 0.0000E+00 7.9000E-01 0.0000E+00 8.0000E-01 5.3500E-01 8.2000E-01 0.0000E+00 9.0000E-01 0.0000E+00 9.1000E-01 4.6500E-01 9.3000E-01 0.0000E+00 1.0200E+00 0.0000E+00 1.0300E+00 3.1500E-01 1.0500E+00 0.0000E+00 1.1300E+00 0.0000E+00 1.1400E+00 2.0000E-01 1.1600E+00 0.0000E+00 1.2300E+00 0.0000E+00 1.2400E+00 9.5000E-02 1.2600E+00 0.0000E+00 1.3400E+00 0.0000E+00 1.3500E+00 4.0000E-02 1.3700E+00 0.0000E+00 1.4400E+00 0.0000E+00 1.4500E+00 1.8500E-02 1.4700E+00 0.0000E+00 1.5400E+00 0.0000E+00 1.5500E+00 8.5000E-03 1.5700E+00 0.0000E+00 1.6300E+00 0.0000E+00 1.6500E+00 3.4000E-03 1.6700E+00 0.0000E+00 1.0000E+03 0.0000E+00 O2_VIBEXC_0.38R 3.800000E-01 1.000000 16 1.000000 0.0000E+00 0.0000E+00 4.0000E+00 0.0000E+00 5.0000E+00 2.8000E-02 6.0000E+00 4.0000E-02 7.0000E+00 7.3000E-02 8.0000E+00 9.4000E-02 9.0000E+00 1.1000E-01 1.0000E+01 1.0900E-01 1.1000E+01 9.3000E-02 1.2000E+01 7.3000E-02 1.3000E+01 5.1000E-02 1.4000E+01 2.8000E-02 1.5000E+01 1.3000E-02 2.0000E+01 5.0000E-03 4.5000E+01 0.0000E+00 1.0000E+03 0.0000E+00 O2_VIBEXC_0.57 5.700000E-01 1.000000 47 1.000000 0.0000E+00 0.0000E+00 5.7000E-01 0.0000E+00 6.8000E-01 0.0000E+00 6.9000E-01 3.7000E-03 7.1000E-01 0.0000E+00 7.9000E-01 0.0000E+00 8.0000E-01 2.1500E-02 8.2000E-01 0.0000E+00 9.0000E-01 0.0000E+00 9.1000E-01 9.0000E-02 9.3000E-01 0.0000E+00 1.0200E+00 0.0000E+00 1.0300E+00 1.2000E-01 1.0500E+00 0.0000E+00 1.1300E+00 0.0000E+00 1.1400E+00 1.1500E-01 1.1600E+00 0.0000E+00 1.2300E+00 0.0000E+00 1.2400E+00 9.5000E-02 1.2600E+00 0.0000E+00 1.3400E+00 0.0000E+00 1.3500E+00 5.5000E-02 1.3700E+00 0.0000E+00 1.4400E+00 0.0000E+00 1.4500E+00 3.0000E-02 1.4700E+00 0.0000E+00 1.5400E+00 0.0000E+00 1.5500E+00 1.6500E-02 1.5700E+00 0.0000E+00 1.6300E+00 0.0000E+00 1.6500E+00 8.0000E-03 1.6700E+00 0.0000E+00 3.5000E+00 0.0000E+00 4.0000E+00 0.0000E+00 5.0000E+00 0.0000E+00 6.0000E+00 1.2500E-02 7.0000E+00 3.6300E-02 8.0000E+00 5.8800E-02 9.0000E+00 7.5000E-02 1.0000E+01 6.7500E-02 1.1000E+01 5.6300E-02 1.2000E+01 4.7500E-02 1.3000E+01 3.0000E-02 1.4000E+01 1.7500E-02 1.5000E+01 8.8000E-03 2.0000E+01 0.0000E+00 1.0000E+03 0.0000E+00 O2_VIBEXC_0.75 7.500000E-01 1.000000 40 1.000000 0.0000E+00 0.0000E+00 7.5000E-01 0.0000E+00 7.9000E-01 0.0000E+00 8.0000E-01 1.5000E-03 8.2000E-01 0.0000E+00 9.0000E-01 0.0000E+00 9.1000E-01 5.5000E-03 9.3000E-01 0.0000E+00 1.0200E+00 0.0000E+00 1.0300E+00 4.0000E-04 1.0500E+00 0.0000E+00 1.1300E+00 0.0000E+00 1.1400E+00 1.6500E-02 1.1600E+00 0.0000E+00 1.2300E+00 0.0000E+00 1.2400E+00 3.1500E-02 1.2600E+00 0.0000E+00 1.3400E+00 0.0000E+00 1.3500E+00 3.3500E-02 1.3700E+00 0.0000E+00 1.4400E+00 0.0000E+00 1.4500E+00 2.8500E-02 1.4700E+00 0.0000E+00 1.5400E+00 0.0000E+00 1.5500E+00 2.1500E-02 1.5700E+00 0.0000E+00 1.6300E+00 0.0000E+00 1.6500E+00 1.6500E-02 1.6700E+00 0.0000E+00 6.0000E+00 0.0000E+00 7.0000E+00 2.7500E-02 8.0000E+00 3.5000E-02 9.0000E+00 4.1300E-02 1.0000E+01 4.6300E-02 1.1000E+01 3.1300E-02 1.2000E+01 2.5000E-02 1.3000E+01 1.7500E-02 1.4000E+01 8.8000E-03 1.5000E+01 0.0000E+00 1.0000E+03 0.0000E+00 O2_EXC_0.977 a[1]delta 9.770000E-01 5.000000 27 1.000000 0.0000E+00 0.0000E+00 9.7700E-01 0.0000E+00 1.5000E+00 5.8000E-03 2.0000E+00 1.5300E-02 3.0000E+00 3.8000E-02 3.5000E+00 4.9000E-02 4.0000E+00 5.7000E-02 5.0000E+00 7.4000E-02 5.6200E+00 8.2500E-02 5.9100E+00 8.6200E-02 6.1900E+00 8.8800E-02 6.5300E+00 9.0800E-02 6.9900E+00 9.1400E-02 7.6100E+00 8.9100E-02 7.8900E+00 8.6300E-02 8.9600E+00 7.6800E-02 1.0040E+01 6.7900E-02 1.3000E+01 5.2700E-02 1.5100E+01 4.5500E-02 1.7500E+01 3.8700E-02 2.0500E+01 3.2400E-02 2.4900E+01 2.5600E-02 3.0900E+01 1.9600E-02 4.1000E+01 1.3700E-02 4.5000E+01 1.2000E-02 1.0000E+02 0.0000E+00 1.0000E+03 0.0000E+00 O2_EXC_1.627 B[1]sigma 1.627000 1.000000 26 1.000000 0.0000E+00 0.0000E+00 1.6270E+00 0.0000E+00 2.0000E+00 2.6000E-03 3.0000E+00 9.7000E-03 3.5000E+00 1.3300E-02 4.0000E+00 1.4900E-02 5.0000E+00 1.8200E-02 5.6900E+00 1.9400E-02 6.5400E+00 1.9400E-02 7.3400E+00 1.9100E-02 8.4100E+00 1.8300E-02 9.2600E+00 1.7400E-02 1.0000E+01 1.6000E-02 1.3000E+01 1.3100E-02 1.4900E+01 1.1700E-02 1.7000E+01 1.0300E-02 1.9400E+01 9.2000E-03 2.0700E+01 8.6000E-03 2.2500E+01 8.0000E-03 2.4000E+01 7.2000E-03 2.8000E+01 6.1000E-03 3.5100E+01 4.7000E-03 4.1900E+01 3.4000E-03 4.5100E+01 3.1000E-03 1.0000E+02 0.0000E+00 1.0000E+03 0.0000E+00 O2_EXC_4.5 4.500000 1.000000 15 1.000000 0.0000E+00 0.0000E+00 4.5000E+00 0.0000E+00 4.8000E+00 3.0000E-03 5.0000E+00 9.0000E-03 5.5000E+00 3.0000E-02 6.0000E+00 6.5000E-02 6.5000E+00 8.5000E-02 7.0000E+00 9.5000E-02 7.5000E+00 1.0000E-01 8.0000E+00 1.0000E-01 9.0000E+00 8.5000E-02 1.0000E+01 7.0000E-02 1.2000E+01 4.5000E-02 1.5000E+01 0.0000E+00 1.0000E+03 0.0000E+00 O2_EXC_6.0 6.000000 1.000000 13 1.000000 0.0000E+00 0.0000E+00 6.0000E+00 0.0000E+00 7.0000E+00 1.5000E-01 7.8000E+00 2.3000E-01 9.0000E+00 2.3000E-01 1.0000E+01 2.1000E-01 1.2000E+01 1.6500E-01 1.5000E+01 1.0500E-01 1.7000E+01 6.5000E-02 2.0000E+01 4.7500E-02 4.5000E+01 1.9000E-02 1.0000E+02 0.0000E+00 1.0000E+03 0.0000E+00 O2_EXC_8.4 8.400000 1.000000 6 1.000000 0.0000E+00 0.0000E+00 8.4000E+00 0.0000E+00 9.4000E+00 1.0000E+00 3.0000E+01 1.2000E+00 5.0000E+01 1.1700E+00 1.0000E+02 9.4000E-01 O2_EXC_9.97 10.000000 1.000000 10 1.000000 0.0000E+00 0.0000E+00 1.0000E+01 0.0000E+00 2.0000E+01 1.3000E-02 3.0000E+01 2.6000E-02 4.0000E+01 4.0000E-02 5.0000E+01 5.0000E-02 6.0000E+01 6.0000E-02 7.0000E+01 6.5000E-02 8.0000E+01 7.0000E-02 1.0000E+03 7.0000E-02 O2_DISEXC_14.7 14.700000 1.000000 10 1.000000 0.0000E+00 0.0000E+00 1.4700E+01 0.0000E+00 2.0000E+01 8.5000E-03 2.5000E+01 1.6000E-02 3.0000E+01 2.2500E-02 4.0000E+01 2.8000E-02 6.0000E+01 3.7000E-02 7.0000E+01 3.8000E-02 8.0000E+01 3.9000E-02 1.0000E+02 3.8000E-02 O2_ION 12.060000 1.000000 12 1.000000 0.0000E+00 0.0000E+00 1.2060E+01 0.0000E+00 1.3000E+01 2.5000E-02 1.8000E+01 2.5000E-01 2.8000E+01 1.0240E+00 3.8000E+01 1.7750E+00 4.8000E+01 2.0700E+00 5.8000E+01 2.4100E+00 6.8000E+01 2.6100E+00 7.8000E+01 2.8100E+00 8.8000E+01 2.8400E+00 1.0000E+03 2.9000E+00 O2_ATT_3 Three body attachment (energy loss taken to be kT @ 300K) 0.025000E+00 -1.000000 36 1.000000 0.0000E+00 0.0000E+00 5.8000E-02 0.0000E+00 7.3000E-02 5.6000E-05 8.3000E-02 1.8000E-04 8.9000E-02 4.2000E-05 9.5000E-02 8.4000E-05 1.0300E-01 1.8000E-04 1.0900E-01 0.0000E+00 1.5000E-01 0.0000E+00 1.7000E-01 0.0000E+00 2.0000E-01 0.0000E+00 2.1000E-01 3.5600E-05 2.3000E-01 0.0000E+00 3.2000E-01 0.0000E+00 3.3000E-01 2.3000E-05 3.5000E-01 0.0000E+00 4.4000E-01 0.0000E+00 4.5000E-01 1.4500E-05 4.7000E-01 0.0000E+00 5.6000E-01 0.0000E+00 5.7000E-01 1.1000E-05 5.9000E-01 0.0000E+00 6.8000E-01 0.0000E+00 6.9000E-01 8.0000E-06 7.1000E-01 0.0000E+00 7.9000E-01 0.0000E+00 8.0000E-01 7.0000E-06 8.2000E-01 0.0000E+00 9.0000E-01 0.0000E+00 9.1000E-01 5.5000E-06 9.3000E-01 0.0000E+00 1.0200E+00 0.0000E+00 1.0300E+00 4.2000E-06 1.0500E+00 0.0000E+00 1.5000E+00 0.0000E+00 1.0000E+02 0.0000E+00 O2_ATT_2 Two body attachment (energy loss taken to be kT @ 300K) 0.025000E+00 -1.000000 20 1.000000 0.0000E+00 0.0000E+00 4.4000E+00 0.0000E+00 4.9000E+00 0.0000E+00 5.3800E+00 2.3000E-03 5.8600E+00 7.2000E-03 6.1000E+00 1.0800E-02 6.4800E+00 1.3800E-02 6.7700E+00 1.5200E-02 7.0500E+00 1.5600E-02 7.3000E+00 1.4800E-02 7.5300E+00 1.3100E-02 7.7700E+00 1.1000E-02 8.0000E+00 8.4000E-03 8.2500E+00 5.4000E-03 8.7300E+00 2.8000E-03 9.2000E+00 1.4000E-03 9.6800E+00 8.0000E-04 1.0150E+01 8.0000E-04 1.1350E+01 8.0000E-04 1.0000E+02 0.0000E+00 ------------------------------------------------------------------------ species H2 # Vibr # Elct # Othr 5 9 1 mol wt g 2.0 1. CAR: 7.35e-3 0.586 0 / H2_MOMXFR N pairs scale 60 1. 0.0000E+00 6.4000E+00 1.0000E-03 6.4000E+00 2.0000E-03 6.5000E+00 3.0000E-03 6.6000E+00 5.0000E-03 6.8000E+00 7.0000E-03 7.1000E+00 8.5000E-03 7.2000E+00 1.0000E-02 7.3000E+00 1.5000E-02 7.7000E+00 2.0000E-02 8.0000E+00 3.0000E-02 8.5000E+00 4.0000E-02 8.9600E+00 5.0000E-02 9.2800E+00 7.0000E-02 9.8500E+00 1.0000E-01 1.0500E+01 1.2000E-01 1.0850E+01 1.5000E-01 1.1400E+01 1.7000E-01 1.1600E+01 2.0000E-01 1.2000E+01 2.5000E-01 1.2500E+01 3.0000E-01 1.3000E+01 3.5000E-01 1.3450E+01 4.0000E-01 1.3900E+01 5.0000E-01 1.4700E+01 7.0000E-01 1.6300E+01 1.0000E+00 1.7400E+01 1.2000E+00 1.7800E+01 1.3000E+00 1.8000E+01 1.5000E+00 1.8250E+01 1.7000E+00 1.8250E+01 1.9000E+00 1.8100E+01 2.1000E+00 1.7900E+01 2.2000E+00 1.7700E+01 2.5000E+00 1.7000E+01 2.8000E+00 1.6400E+01 3.0000E+00 1.6000E+01 3.3000E+00 1.5600E+01 3.6000E+00 1.4800E+01 4.0000E+00 1.4000E+01 4.5000E+00 1.3100E+01 5.0000E+00 1.2200E+01 6.0000E+00 1.0400E+01 7.0000E+00 8.9000E+00 8.0000E+00 7.8500E+00 1.0000E+01 6.0000E+00 1.2000E+01 5.2000E+00 1.5000E+01 4.5000E+00 1.7000E+01 4.2000E+00 2.0000E+01 3.9000E+00 2.5000E+01 3.6000E+00 3.0000E+01 3.4000E+00 5.0000E+01 2.9000E+00 7.5000E+01 2.6000E+00 1.0000E+02 2.3000E+00 1.5000E+02 1.9000E+00 2.0000E+02 1.6200E+00 3.0000E+02 1.2800E+00 5.0000E+02 9.2000E-01 7.0000E+02 7.2000E-01 1.0000E+03 5.4000E-01 H2_ROEXC_0.044 j=0->2 4.400000E-02 1.000000 28 1.000000 0.0000E+00 0.0000E+00 4.4000E-02 0.0000E+00 4.7000E-02 4.6000E-03 5.0000E-02 6.8000E-03 5.5000E-02 8.8000E-03 6.0000E-02 1.0500E-02 7.0000E-02 1.3300E-02 9.0000E-02 1.7000E-02 1.1000E-01 1.9800E-02 2.0000E-01 3.0000E-02 4.0000E-01 5.2500E-02 6.0000E-01 7.6300E-02 8.0000E-01 1.1250E-01 1.0000E+00 1.5000E-01 2.0000E+00 3.2750E-01 3.0000E+00 4.5000E-01 4.0000E+00 4.5000E-01 6.0000E+00 3.8000E-01 1.0000E+01 2.9000E-01 2.0000E+01 1.6500E-01 3.0000E+01 1.2500E-01 5.0000E+01 8.5000E-02 7.0000E+01 6.6000E-02 1.0000E+02 5.0000E-02 1.2500E+02 4.2500E-02 1.5000E+02 3.6500E-02 5.0000E+02 1.3000E-02 1.0000E+03 7.0000E-03 H2_ROEXC_0.073 j=1->3 7.300000E-02 1.000000 30 1.000000 0.0000E+00 0.0000E+00 7.3000E-02 0.0000E+00 7.5000E-02 7.5000E-03 8.0000E-02 1.2500E-02 8.5000E-02 1.6100E-02 9.0000E-02 1.8800E-02 1.0000E-01 2.2100E-02 1.2000E-01 2.8500E-02 1.5000E-01 3.5300E-02 2.0000E-01 4.5000E-02 3.0000E-01 6.6000E-02 4.0000E-01 8.8500E-02 5.0000E-01 1.1250E-01 7.0000E-01 1.6500E-01 1.0000E+00 2.6250E-01 1.4000E+00 3.7500E-01 2.0000E+00 5.6250E-01 2.7000E+00 7.5000E-01 3.3000E+00 8.2500E-01 5.0000E+00 7.5000E-01 7.0000E+00 6.5250E-01 1.0000E+01 5.2500E-01 2.0000E+01 3.0000E-01 3.0000E+01 2.2500E-01 5.0000E+01 1.5300E-01 1.0000E+02 8.7000E-02 1.2500E+02 7.4300E-02 1.5000E+02 6.3000E-02 5.0000E+02 2.3300E-02 1.0000E+03 1.3500E-02 H2_VIBEXC_0.516 5.160000E-01 1.000000 24 1.000000 0.0000E+00 0.0000E+00 5.1600E-01 0.0000E+00 7.0000E-01 2.0000E-02 1.0000E+00 6.0000E-02 1.5000E+00 2.0000E-01 2.0000E+00 4.0000E-01 2.5000E+00 4.9000E-01 3.0000E+00 5.1000E-01 3.3000E+00 5.0000E-01 4.0000E+00 4.4000E-01 5.0000E+00 3.6000E-01 7.0000E+00 2.2000E-01 8.0000E+00 1.6000E-01 1.0000E+01 9.0000E-02 1.2000E+01 6.0000E-02 1.6000E+01 2.0000E-02 5.0000E+01 9.0000E-03 1.0000E+02 8.0000E-03 1.5000E+02 8.0000E-03 2.0000E+02 8.0000E-03 3.0000E+02 7.0000E-03 5.0000E+02 7.0000E-03 7.0000E+02 7.0000E-03 1.0000E+03 6.0000E-03 H2_VIBEXC_1.0 1.000000 1.000000 18 1.000000 0.0000E+00 0.0000E+00 1.0000E+00 0.0000E+00 1.3000E+00 0.0000E+00 1.5000E+00 3.0000E-03 1.8000E+00 8.0000E-03 2.1500E+00 1.8000E-02 2.3000E+00 2.4000E-02 2.5000E+00 2.9000E-02 3.0000E+00 3.6000E-02 3.6000E+00 3.8000E-02 4.0000E+00 3.8000E-02 6.0000E+00 3.0000E-02 9.0000E+00 1.7000E-02 1.2000E+01 8.0000E-03 1.6000E+01 0.0000E+00 2.0000E+01 0.0000E+00 5.0000E+01 0.0000E+00 1.0000E+03 0.0000E+00 H2_VIBEXC_1.5 1.500000 1.000000 18 1.000000 0.0000E+00 0.0000E+00 1.5000E+00 0.0000E+00 1.8000E+00 3.0000E-04 1.9000E+00 1.0000E-03 2.0000E+00 1.3000E-03 2.2000E+00 2.0000E-03 2.5000E+00 2.9000E-03 3.0000E+00 3.8000E-03 3.3000E+00 4.1000E-03 3.7000E+00 4.1000E-03 5.0000E+00 3.4000E-03 7.0000E+00 2.3000E-03 1.0000E+01 1.2000E-03 1.2000E+01 6.0000E-04 1.4000E+01 1.0000E-04 1.6000E+01 0.0000E+00 5.0000E+01 0.0000E+00 1.0000E+03 0.0000E+00 H2_EXC_8.9 B[3]sigma 8.900000 3.000000 14 1.000000 0.0000E+00 0.0000E+00 8.9000E+00 0.0000E+00 1.0000E+01 1.1500E-01 1.2000E+01 2.9900E-01 1.7000E+01 3.3350E-01 2.0000E+01 2.8750E-01 2.5000E+01 2.0700E-01 3.0000E+01 1.3800E-01 4.0000E+01 5.7500E-02 5.0000E+01 2.8800E-02 6.0000E+01 1.3800E-02 8.0000E+01 3.5000E-03 1.0000E+02 0.0000E+00 1.0000E+03 0.0000E+00 H2_EXC_11.3 B[1]sigma 11.300000 1.000000 18 1.000000 0.0000E+00 0.0000E+00 1.1300E+01 0.0000E+00 1.1700E+01 1.0000E-01 1.2500E+01 9.0000E-02 1.6000E+01 2.0000E-01 2.0000E+01 3.0000E-01 2.5000E+01 4.1000E-01 3.0000E+01 4.5000E-01 4.0000E+01 4.8000E-01 5.0000E+01 4.7000E-01 7.0000E+01 4.2000E-01 1.0000E+02 3.8000E-01 1.5000E+02 3.2000E-01 2.0000E+02 2.8000E-01 3.0000E+02 2.3000E-01 5.0000E+02 1.7000E-01 7.0000E+02 1.3500E-01 1.0000E+03 1.0000E-01 H2_EXC_11.75 C[3]pi 11.750000 9.000000 18 1.000000 0.0000E+00 0.0000E+00 1.1750E+01 0.0000E+00 1.1880E+01 8.0000E-02 1.2250E+01 1.4000E-01 1.2900E+01 1.2000E-01 1.3500E+01 1.4000E-01 1.5500E+01 2.0000E-01 2.0000E+01 1.2000E-01 2.5000E+01 7.2000E-02 3.0000E+01 4.3000E-02 3.5000E+01 3.0000E-02 4.0000E+01 2.0000E-02 5.0000E+01 1.0400E-02 6.0000E+01 7.0000E-03 7.0000E+01 4.0000E-03 1.0000E+02 1.4000E-03 1.5000E+02 0.0000E+00 1.0000E+03 0.0000E+00 H2_EXC_11.8 A[3]sigma 11.800000 1.000000 14 1.000000 0.0000E+00 0.0000E+00 1.1800E+01 0.0000E+00 1.3000E+01 1.1000E-01 1.4000E+01 1.2000E-01 1.5000E+01 1.2200E-01 1.6000E+01 1.2100E-01 1.7000E+01 1.1600E-01 2.0000E+01 8.5000E-02 2.5000E+01 5.5000E-02 3.0000E+01 3.5000E-02 5.0000E+01 8.0000E-03 7.0000E+01 0.0000E+00 1.0000E+02 0.0000E+00 1.0000E+03 0.0000E+00 H2_EXC_12.4 C[1]pi 12.400000 3.000000 18 1.000000 0.0000E+00 0.0000E+00 1.2400E+01 0.0000E+00 1.3000E+01 3.0000E-02 1.4000E+01 1.0000E-01 1.6000E+01 1.8000E-01 1.8000E+01 2.3000E-01 2.2000E+01 3.2000E-01 3.0000E+01 3.9000E-01 4.0000E+01 4.0000E-01 6.0000E+01 4.0000E-01 8.0000E+01 3.8000E-01 1.0000E+02 3.6000E-01 1.5000E+02 3.0000E-01 2.0000E+02 2.6000E-01 3.0000E+02 2.1000E-01 5.0000E+02 1.6000E-01 7.0000E+02 1.2000E-01 1.0000E+03 9.0000E-02 H2_EXC_14.0 D[3]pi 14.000000 9.000000 12 1.000000 0.0000E+00 0.0000E+00 1.4000E+01 0.0000E+00 1.5600E+01 4.1000E-02 2.0000E+01 3.1000E-02 2.5000E+01 2.0000E-02 3.0000E+01 1.2000E-02 4.0000E+01 5.3000E-03 5.0000E+01 2.8000E-03 7.0000E+01 1.0000E-03 1.0000E+02 4.0000E-04 1.5000E+02 0.0000E+00 1.0000E+03 0.0000E+00 H2_EXC_15.2 Rydberg 15.200000 1.000000 18 1.000000 0.0000E+00 0.0000E+00 1.5200E+01 0.0000E+00 1.6000E+01 0.0000E+00 1.7000E+01 1.3000E-02 1.8000E+01 3.0000E-02 2.0000E+01 6.3000E-02 2.2000E+01 9.5000E-02 3.0000E+01 1.9000E-01 4.0000E+01 2.2000E-01 6.0000E+01 2.4000E-01 8.0000E+01 2.3000E-01 1.0000E+02 2.1000E-01 1.5000E+02 1.7500E-01 2.0000E+02 1.5000E-01 3.0000E+02 1.2000E-01 5.0000E+02 8.5000E-02 7.0000E+02 6.7000E-02 1.0000E+03 5.2000E-02 H2_DISEXC_15.0 H(n=2) 15.000000 1.000000 18 1.000000 0.0000E+00 0.0000E+00 1.5000E+01 0.0000E+00 1.7000E+01 0.0000E+00 2.0000E+01 5.0000E-02 2.5000E+01 7.0000E-02 3.0000E+01 9.5000E-02 3.5000E+01 1.0500E-01 4.0000E+01 1.1500E-01 5.0000E+01 1.2500E-01 6.0000E+01 1.3000E-01 7.0000E+01 1.3000E-01 1.0000E+02 1.2500E-01 1.5000E+02 1.1000E-01 2.0000E+02 9.0000E-02 3.0000E+02 7.0000E-02 5.0000E+02 5.0000E-02 7.0000E+02 4.0000E-02 1.0000E+03 3.6000E-02 H2_DISEXC_16.6 H(n=3) 16.600000 1.000000 24 1.000000 0.0000E+00 0.0000E+00 1.6600E+01 0.0000E+00 1.8000E+01 4.5000E-03 1.9000E+01 5.6000E-03 2.0000E+01 5.8000E-03 2.5000E+01 6.0000E-03 3.0000E+01 6.8000E-03 4.0000E+01 8.0000E-03 5.0000E+01 9.2000E-03 6.0000E+01 9.4000E-03 8.0000E+01 9.4000E-03 1.0000E+02 8.7000E-03 1.5000E+02 7.2000E-03 2.0000E+02 6.0000E-03 3.0000E+02 4.3000E-03 5.0000E+02 2.8000E-03 7.0000E+02 2.1000E-03 1.0000E+03 1.5000E-03 1.5000E+03 1.1000E-03 2.0000E+03 8.4000E-04 3.0000E+03 5.9000E-04 5.0000E+03 3.8000E-04 7.0000E+03 2.8000E-04 1.0000E+04 2.0000E-04 H2_ION 15.400000 1.000000 18 1.000000 0.0000E+00 0.0000E+00 1.5400E+01 0.0000E+00 1.9500E+01 2.4900E-01 2.1000E+01 3.3600E-01 2.3000E+01 4.3900E-01 2.5000E+01 5.2400E-01 2.8000E+01 6.3100E-01 3.2000E+01 7.3000E-01 4.0000E+01 8.6500E-01 5.0000E+01 9.4000E-01 7.0000E+01 9.6700E-01 1.0000E+02 9.3200E-01 1.5000E+02 8.0000E-01 2.0000E+02 7.1200E-01 3.0000E+02 5.7100E-01 5.0000E+02 4.0400E-01 7.0000E+02 3.1600E-01 1.0000E+03 2.3700E-01 ------------------------------------------------------------------------ species Cl2 # Vibr # Elct # Othr 1 3 2 mol wt g 70.906 1. CAR: 0.0 0.0 0 / Cl2_MOMXFR N pairs scale 9 1. 0.0000E+00 2.5000E+00 1.5000E-01 2.5000E+00 1.4000E+00 2.5000E+00 1.6000E+00 4.0000E+00 2.5000E+00 1.5000E+01 4.2000E+00 4.0000E+01 1.0000E+01 1.6000E+01 2.0000E+01 1.3000E+01 1.0000E+02 1.3000E+01 Cl2_VIBEXC 6.900000E-02 1.000000 16 1.000000 6.8000E-02 0.0000E+00 6.9000E-02 1.1000E-02 8.0000E-02 8.8000E-02 1.0000E-01 2.2000E-01 1.5000E-01 7.7000E-01 2.0000E-01 1.4300E+00 3.0000E-01 2.2000E+00 5.0000E-01 2.2000E+00 6.0000E-01 2.2000E+00 9.0000E-01 2.0900E+00 1.5000E+00 1.6500E+00 2.0000E+00 1.1000E+00 3.0000E+00 3.3000E-01 4.0000E+00 1.1000E-01 5.0000E+00 1.1000E-02 6.0000E+00 0.0000E+00 Cl2_EXC_2.5 B[3]pi 2.500000 9.000000 12 1.000000 2.5000E+00 0.0000E+00 2.7000E+00 4.8000E-01 3.0000E+00 6.7200E-01 4.0000E+00 1.2800E+00 4.6000E+00 1.5680E+00 6.0000E+00 1.6000E+00 6.4000E+00 1.5360E+00 7.0000E+00 1.1200E+00 9.0000E+00 4.8000E-01 1.0400E+01 3.2000E-01 1.3000E+01 1.6000E-01 1.5000E+01 0.0000E+00 Cl2_EXC_3.12 C[1]pi 3.120000 3.000000 15 1.000000 3.1200E+00 0.0000E+00 4.2000E+00 3.4500E-01 5.0000E+00 5.9800E-01 6.0000E+00 9.8900E-01 7.0000E+00 1.5410E+00 8.0000E+00 1.9780E+00 9.0000E+00 2.2080E+00 1.0000E+01 2.3000E+00 1.2000E+01 2.0700E+00 1.5000E+01 1.8400E+00 2.0000E+01 1.7250E+00 3.0000E+01 1.6100E+00 4.0000E+01 1.3800E+00 6.0000E+01 1.1500E+00 1.0000E+02 9.2000E-01 Cl2_EXC_9.25 B[1]pi + C[1]pi 9.250000 4.000000 9 1.000000 9.2500E+00 0.0000E+00 1.3000E+01 3.0000E-01 1.6000E+01 4.5000E-01 2.0000E+01 7.5000E-01 2.4000E+01 1.0500E+00 2.7000E+01 1.4400E+00 3.0000E+01 1.5000E+00 5.0000E+01 1.3500E+00 1.0000E+02 1.2000E+00 Cl2_DISATT 0.000000E+00 -1.000000 50 1.000000 0.0000E+00 2.0160E+00 1.0000E-01 8.0000E-01 2.0000E-01 2.4500E-01 3.0000E-01 6.2000E-02 4.0000E-01 2.0000E-02 5.0000E-01 9.8000E-03 6.0000E-01 6.8000E-03 7.0000E-01 6.3000E-03 9.0000E-01 5.0000E-03 1.0000E+00 4.2000E-03 1.2000E+00 4.8000E-03 1.4000E+00 5.9000E-03 1.8000E+00 1.3200E-02 2.2000E+00 2.4200E-02 2.4000E+00 2.7700E-02 2.6000E+00 2.7900E-02 2.8000E+00 2.4900E-02 3.0000E+00 1.9200E-02 3.4000E+00 1.0600E-02 3.6000E+00 9.5000E-03 3.8000E+00 1.0500E-02 4.0000E+00 1.2900E-02 4.4000E+00 2.0900E-02 4.6000E+00 2.5700E-02 5.0000E+00 3.6300E-02 5.4000E+00 4.4600E-02 5.8000E+00 4.8400E-02 6.2000E+00 4.6200E-02 6.6000E+00 3.9900E-02 7.0000E+00 3.0100E-02 7.8000E+00 1.0000E-02 8.0000E+00 6.9900E-03 8.8000E+00 3.9500E-03 9.2000E+00 3.8000E-03 1.0000E+01 3.8000E-03 1.1000E+01 3.4400E-03 1.1400E+01 3.1600E-03 1.1800E+01 3.2800E-03 1.2200E+01 4.4000E-03 1.2800E+01 7.2000E-03 1.3000E+01 8.0000E-03 1.6000E+01 1.8000E-02 2.0000E+01 2.5800E-02 3.0000E+01 1.0800E-02 4.2000E+01 4.0000E-03 5.0000E+01 7.6000E-03 6.0000E+01 1.7600E-02 7.0000E+01 2.7200E-02 7.9000E+01 4.2800E-02 1.0000E+02 3.0000E-02 Cl2_ION 11.480000 1.000000 36 1.000000 0.0000E+00 0.0000E+00 1.1490E+01 0.0000E+00 1.1600E+01 5.0000E-02 1.2000E+01 9.2700E-02 1.2400E+01 1.4600E-01 1.2800E+01 1.9200E-01 1.3200E+01 2.8300E-01 1.3400E+01 3.1700E-01 1.3800E+01 4.1400E-01 1.4200E+01 5.2100E-01 1.4600E+01 6.3100E-01 1.5000E+01 7.4700E-01 1.5400E+01 8.5900E-01 1.5800E+01 9.7900E-01 1.6200E+01 1.0900E+00 1.6600E+01 1.2100E+00 1.7000E+01 1.3200E+00 1.7400E+01 1.4300E+00 1.7800E+01 1.5400E+00 1.8200E+01 1.6400E+00 1.8600E+01 1.7500E+00 1.9000E+01 1.8600E+00 1.9400E+01 1.9500E+00 1.9800E+01 2.0700E+00 2.0000E+01 2.1200E+00 2.2000E+01 2.5600E+00 2.5000E+01 3.1800E+00 2.7000E+01 3.5100E+00 4.0000E+01 4.6100E+00 5.0000E+01 5.0600E+00 6.0000E+01 5.3900E+00 6.2000E+01 5.4300E+00 6.4000E+01 5.4680E+00 7.0000E+01 5.5300E+00 8.0000E+01 5.5800E+00 1.0000E+02 5.5240E+00 ------------------------------------------------------------------------ species F2 # Vibr # Elct # Othr 4 4 2 mol wt g 38.0 1. CAR: 0.0 0.0 0 / F2_MOMXFR N pairs scale 26 1. 1.0000E-02 1.0315E+01 2.8100E-02 1.0227E+01 1.0910E-01 1.0277E+01 2.8210E-01 1.0523E+01 4.7080E-01 1.1107E+01 6.8060E-01 1.2681E+01 1.0097E+00 1.6616E+01 1.2485E+00 2.1551E+01 1.4515E+00 3.2590E+01 1.4937E+00 3.5616E+01 1.5266E+00 3.6207E+01 1.5603E+00 3.6211E+01 1.6224E+00 3.5383E+01 2.1551E+00 2.4343E+01 2.5700E+00 1.9890E+01 3.5804E+00 1.6228E+01 6.1947E+00 1.2216E+01 9.8870E+00 1.0114E+01 1.6289E+01 8.1255E+00 2.4477E+01 6.2418E+00 3.9303E+01 4.1896E+00 7.0961E+01 2.5158E+00 1.1973E+02 1.4380E+00 2.1804E+02 6.8390E-01 3.7933E+02 3.0110E-01 9.5269E+02 8.2000E-02 F2_VIBEXC_0.1108 1.108000E-01 1.000000 50 1.000000 1.1080E-01 0.0000E+00 2.0000E-01 6.4000E-01 3.0000E-01 8.5000E-01 4.0000E-01 8.6000E-01 5.0000E-01 7.7000E-01 6.0000E-01 6.3000E-01 7.0000E-01 5.0000E-01 8.0000E-01 3.9000E-01 9.0000E-01 3.0000E-01 1.0000E+00 2.3000E-01 1.1000E+00 1.8000E-01 1.2000E+00 1.4000E-01 1.3000E+00 1.2000E-01 1.4000E+00 9.5000E-02 1.5000E+00 7.9000E-02 1.6000E+00 6.6000E-02 1.7000E+00 5.7000E-02 1.8000E+00 4.9000E-02 1.9000E+00 4.3000E-02 2.0000E+00 3.9800E-02 2.1000E+00 3.3000E-02 2.2000E+00 3.0000E-02 2.3000E+00 2.7000E-02 2.4000E+00 2.4000E-02 2.5000E+00 2.2000E-02 2.6000E+00 2.0000E-02 2.7000E+00 1.8000E-02 2.8000E+00 1.7000E-02 2.9000E+00 1.5000E-02 3.0000E+00 1.4000E-02 3.1000E+00 1.3000E-02 3.2000E+00 1.2000E-02 3.3000E+00 1.1000E-02 3.4000E+00 1.1000E-02 3.5000E+00 1.0000E-02 3.6000E+00 9.4000E-03 3.7000E+00 8.9000E-03 3.8000E+00 8.4000E-03 3.9000E+00 7.8000E-03 4.0000E+00 7.4000E-03 4.1000E+00 7.1000E-03 4.2000E+00 6.7000E-03 4.3000E+00 6.3000E-03 4.4000E+00 6.0000E-03 4.5000E+00 5.7000E-03 4.6000E+00 5.4000E-03 4.7000E+00 5.2000E-03 4.8000E+00 5.0000E-03 4.9000E+00 4.8000E-03 5.0000E+00 0.0000E+00 F2_VIBEXC_0.2188 2.188000E-01 1.000000 49 1.000000 2.1880E-01 0.0000E+00 3.0000E-01 8.2000E-01 4.0000E-01 9.9000E-01 5.0000E-01 9.7000E-01 6.0000E-01 8.5000E-01 7.0000E-01 7.0000E-01 8.0000E-01 5.5000E-01 9.0000E-01 4.3000E-01 1.0000E+00 3.3000E-01 1.1000E+00 2.6000E-01 1.2000E+00 2.1000E-01 1.3000E+00 1.6000E-01 1.4000E+00 1.3000E-01 1.5000E+00 1.1000E-01 1.6000E+00 9.3000E-02 1.7000E+00 8.0000E-02 1.8000E+00 6.9000E-02 1.9000E+00 6.0000E-02 2.0000E+00 5.3000E-02 2.1000E+00 4.7000E-02 2.2000E+00 4.2000E-02 2.3000E+00 3.7000E-02 2.4000E+00 3.4000E-02 2.5000E+00 3.1000E-02 2.6000E+00 2.8000E-02 2.7000E+00 2.6000E-02 2.8000E+00 2.4000E-02 2.9000E+00 2.2000E-02 3.0000E+00 2.0000E-02 3.1000E+00 1.9000E-02 3.2000E+00 1.7000E-02 3.3000E+00 1.6000E-02 3.4000E+00 1.5000E-02 3.5000E+00 1.4000E-02 3.6000E+00 1.3000E-02 3.7000E+00 1.2000E-02 3.8000E+00 1.1000E-02 3.9000E+00 1.1000E-02 4.0000E+00 1.0000E-02 4.1000E+00 1.0000E-02 4.2000E+00 9.4000E-03 4.3000E+00 8.9000E-03 4.4000E+00 8.4000E-03 4.5000E+00 8.1000E-03 4.6000E+00 7.7000E-03 4.7000E+00 7.3000E-03 4.8000E+00 7.0000E-03 4.9000E+00 6.7000E-03 5.0000E+00 0.0000E+00 F2_VIBEXC_0.3237 3.237000E-01 1.000000 27 1.000000 3.2370E-01 0.0000E+00 4.0000E-01 5.2000E-01 5.0000E-01 6.3000E-01 6.0000E-01 6.1000E-01 7.0000E-01 5.3000E-01 8.0000E-01 4.3000E-01 1.0000E+00 2.7000E-01 1.2000E+00 1.6000E-01 1.4000E+00 1.0000E-01 1.6000E+00 6.9000E-02 1.8000E+00 5.0000E-02 2.0000E+00 3.9000E-02 2.2000E+00 3.1000E-02 2.4000E+00 2.5000E-02 2.6000E+00 2.1000E-02 2.8000E+00 1.7000E-02 3.0000E+00 1.5000E-02 3.2000E+00 1.3000E-02 3.4000E+00 1.1000E-02 3.6000E+00 1.0000E-02 3.8000E+00 8.8000E-03 4.0000E+00 7.9000E-03 4.2000E+00 7.1000E-03 4.4000E+00 6.4000E-03 4.6000E+00 5.8000E-03 4.8000E+00 5.3000E-03 5.0000E+00 0.0000E+00 F2_VIBEXC_0.4205 4.205000E-01 1.000000 20 1.000000 4.2050E-01 0.0000E+00 5.0000E-01 1.8000E-01 6.0000E-01 2.1000E-01 7.0000E-01 2.1000E-01 8.0000E-01 1.8000E-01 9.0000E-01 1.5000E-01 1.0000E+00 1.1000E-01 1.2000E+00 6.0000E-02 1.4000E+00 3.4000E-02 1.6000E+00 2.3000E-02 1.8000E+00 1.6000E-02 2.0000E+00 1.3000E-02 2.2000E+00 1.0000E-03 2.5000E+00 7.8000E-03 3.0000E+00 5.2000E-03 3.5000E+00 3.8000E-03 4.0000E+00 2.8000E-03 4.5000E+00 2.2000E-03 4.9000E+00 1.8000E-03 5.0000E+00 0.0000E+00 F2_EXC_3.16 a[3]pi{u} -> 2 F 3.160000 9.000000 14 1.000000 3.1600E+00 0.0000E+00 4.0000E+00 6.5000E-02 4.2000E+00 1.0000E-01 4.6000E+00 1.4500E-01 5.6000E+00 2.0000E-01 6.0000E+00 2.2000E-01 7.0000E+00 2.3000E-01 8.0000E+00 2.2000E-01 1.0000E+01 2.0000E-01 1.5000E+01 1.4000E-01 2.0000E+01 1.0700E-01 2.7000E+01 8.0000E-02 3.4000E+01 6.0000E-02 4.0000E+01 4.8000E-02 F2_EXC_4.34 A[1]pi{u} -> 2 F 4.340000 3.000000 14 1.000000 4.3400E+00 0.0000E+00 5.0000E+00 4.0000E-02 6.0000E+00 6.0000E-02 7.0000E+00 7.4000E-02 8.0000E+00 8.0000E-02 1.0000E+01 7.4000E-02 1.4700E+01 6.0000E-02 2.0000E+01 4.7000E-02 2.5000E+01 4.0000E-02 4.0000E+01 2.5000E-02 5.4000E+01 2.0000E-02 6.0000E+01 1.7000E-02 8.0000E+01 1.3000E-02 1.0000E+02 1.0000E-03 F2_EXC_11.57 C[1]sigma{u}[+] 11.570000 1.000000 15 1.000000 1.1730E+01 1.0200E-02 1.2620E+01 3.0100E-02 1.4000E+01 7.9100E-02 1.6990E+01 2.3220E-01 1.8690E+01 3.0060E-01 2.1640E+01 3.7290E-01 2.5840E+01 4.4470E-01 3.1070E+01 5.0150E-01 3.9480E+01 5.2370E-01 5.1880E+01 5.0980E-01 7.8430E+01 4.7680E-01 1.4238E+02 3.7330E-01 2.3460E+02 2.8240E-01 3.9591E+02 2.0390E-01 9.5938E+02 1.1920E-01 F2_EXC_13.08 H[1]pi{u} 13.080000 3.000000 14 1.000000 1.9250E+01 1.0350E-02 2.0400E+01 1.4390E-02 2.3770E+01 2.4890E-02 2.8610E+01 3.9610E-02 3.4630E+01 5.5240E-02 4.3000E+01 6.6580E-02 5.3430E+01 7.2150E-02 6.8220E+01 7.3970E-02 9.0550E+01 7.3430E-02 1.2142E+02 6.9280E-02 1.7994E+02 5.8800E-02 2.8356E+02 4.4160E-02 4.2679E+02 3.3000E-02 9.6952E+02 1.7590E-02 F2_DISATT 0.000000E+00 -1.000000 60 1.000000 0.0000E+00 8.0000E+01 1.0000E-02 4.4400E+01 2.0000E-02 2.4700E+01 3.0000E-02 1.3700E+01 4.0000E-02 8.2000E+00 5.0000E-02 7.4000E+00 7.0000E-02 7.1000E+00 1.0000E-01 6.5000E+00 1.5000E-01 5.4500E+00 2.0000E-01 4.8000E+00 2.5000E-01 4.2500E+00 3.0000E-01 3.6500E+00 3.5000E-01 3.1000E+00 4.0000E-01 2.6500E+00 4.5000E-01 2.2500E+00 5.0000E-01 1.9200E+00 6.0000E-01 1.3400E+00 7.0000E-01 9.4000E-01 8.0000E-01 6.5500E-01 9.0000E-01 4.5500E-01 1.0000E+00 3.2000E-01 1.2000E+00 1.5300E-01 1.4000E+00 7.5000E-02 1.6000E+00 3.6500E-02 1.8000E+00 2.1500E-02 2.0000E+00 1.4200E-02 2.2000E+00 1.1800E-02 2.4000E+00 1.0500E-02 2.6000E+00 1.0000E-02 2.8000E+00 9.7000E-03 3.0000E+00 9.3000E-03 3.2000E+00 8.2000E-03 3.4000E+00 6.9000E-03 3.6000E+00 5.6000E-03 3.8000E+00 4.6000E-03 4.0000E+00 3.8500E-03 4.2000E+00 3.5500E-03 4.4000E+00 3.6000E-03 4.6000E+00 3.8000E-03 4.8000E+00 4.1500E-03 5.0000E+00 4.6500E-03 5.2000E+00 5.1800E-03 5.4000E+00 5.7200E-03 5.6000E+00 6.3000E-03 5.8000E+00 6.8000E-03 6.0000E+00 6.9000E-03 6.2000E+00 7.0000E-03 6.4000E+00 6.8500E-03 6.6000E+00 6.4000E-03 6.8000E+00 5.8200E-03 7.0000E+00 5.2300E-03 7.2000E+00 4.9000E-03 7.4000E+00 4.0000E-03 7.6000E+00 3.5400E-03 7.8000E+00 2.9500E-03 8.0000E+00 2.5000E-03 8.2000E+00 2.1000E-03 8.4000E+00 1.7300E-03 8.6000E+00 1.4200E-03 8.8000E+00 1.1800E-03 F2_ION 1.569000E+01 1.000000 21 1.000000 1.6540E+01 1.0300E-02 1.6560E+01 1.5000E-02 1.6830E+01 2.5500E-02 1.7390E+01 4.1300E-02 1.8200E+01 6.6100E-02 1.9610E+01 1.0600E-01 2.1760E+01 1.7200E-01 2.5470E+01 3.0200E-01 2.8610E+01 4.3550E-01 3.5360E+01 6.2810E-01 4.2540E+01 7.8290E-01 5.2080E+01 9.3390E-01 6.6630E+01 1.0662E+00 9.3990E+01 1.1814E+00 1.1823E+02 1.2237E+00 1.7648E+02 1.1774E+00 2.6866E+02 1.0375E+00 3.8109E+02 8.6470E-01 5.0732E+02 7.2060E-01 7.1970E+02 5.7200E-01 9.3726E+02 4.7340E-01 ------------------------------------------------------------------------ species HCl # Vibr # Elct # Othr 2 2 3 mol wt g 36.45 1. CAR: 1.2e-9 0.0 2 / HCl_MOMXFR N pairs scale 29 1. 0.0000E+00 1.3416E+03 1.0000E-02 1.3416E+03 2.0000E-02 7.3119E+02 4.0000E-02 3.7822E+02 6.0000E-02 2.5179E+02 8.0000E-02 1.8619E+02 1.0000E-01 1.4587E+02 2.0000E-01 6.3571E+01 3.0000E-01 3.6714E+01 4.0000E-01 2.4027E+01 5.0000E-01 1.6906E+01 6.0000E-01 1.2529E+01 8.0000E-01 7.7893E+00 1.0000E+00 5.6210E+00 1.5000E+00 4.7032E+00 2.0000E+00 6.7544E+00 2.5000E+00 1.0232E+01 3.0000E+00 1.2708E+01 4.0000E+00 1.4605E+01 5.0000E+00 1.7128E+01 6.0000E+00 2.0482E+01 7.0000E+00 2.3633E+01 8.0000E+00 2.6004E+01 9.0000E+00 2.7483E+01 1.0000E+01 2.8210E+01 1.0940E+01 2.8376E+01 2.5000E+01 2.8600E+01 4.0000E+01 3.3000E+01 1.0000E+02 3.8500E+01 HCl_VIBEXC_0.36 3.600000E-01 1.000000 9 1.000000 0.0000E+00 0.0000E+00 3.6000E-01 0.0000E+00 4.6000E-01 1.3050E+01 7.0000E-01 2.9250E+00 1.3000E+00 1.4250E+00 2.3000E+00 2.1000E+00 3.0500E+00 2.1000E+00 4.4000E+00 9.0000E-01 7.0000E+00 0.0000E+00 HCl_VIBEXC_0.70 7.000000E-01 1.000000 11 1.000000 0.0000E+00 0.0000E+00 7.0000E-01 0.0000E+00 8.0000E-01 1.2070E+00 9.0000E-01 5.1000E-01 1.0500E+00 3.0600E-01 1.2000E+00 2.2100E-01 3.2000E+00 3.0000E-01 3.9000E+00 2.2100E-01 4.7000E+00 1.0000E-01 5.3000E+00 7.0000E-02 7.2000E+00 0.0000E+00 HCl_EXC_5.5 A[1]pi 5.500000 3.000000 6 1.000000 0.0000E+00 0.0000E+00 5.5000E+00 0.0000E+00 6.9000E+00 3.0800E-01 7.4500E+00 3.3600E-01 7.9500E+00 3.0800E-01 1.1000E+01 0.0000E+00 HCl_EXC_9.3 B[1]pi + C[1]pi 9.300000 6.000000 6 1.000000 0.0000E+00 0.0000E+00 9.3000E+00 0.0000E+00 9.6000E+00 3.9600E-01 1.0300E+01 1.1040E+00 1.0600E+01 1.3400E+00 1.0000E+02 1.8000E+00 HCl_DISATT_Cl- 6.700000E-01 -1.000000 41 1.000000 0.0000E+00 0.0000E+00 2.0100E-01 0.0000E+00 4.1000E-01 0.0000E+00 4.5000E-01 5.0000E-03 5.5000E-01 1.0000E-02 6.0000E-01 1.0000E-02 6.5000E-01 1.0000E-02 6.7500E-01 1.0000E-02 7.0000E-01 1.2900E-02 7.2500E-01 1.8300E-02 7.5000E-01 2.9100E-02 7.7500E-01 4.5600E-02 8.0000E-01 6.5300E-02 8.2000E-01 8.2600E-02 8.4000E-01 9.7500E-02 8.6000E-01 1.1550E-01 8.8000E-01 1.2540E-01 9.0000E-01 1.2690E-01 9.2000E-01 1.2430E-01 9.4000E-01 1.1510E-01 9.6000E-01 1.1340E-01 9.8000E-01 1.0270E-01 1.0000E+00 9.7800E-02 1.0250E+00 9.0000E-02 1.0500E+00 8.2000E-02 1.0750E+00 7.6900E-02 1.1000E+00 7.1700E-02 1.1250E+00 6.9500E-02 1.1500E+00 6.4000E-02 1.1750E+00 5.8200E-02 1.2000E+00 5.5800E-02 1.2500E+00 4.3300E-02 1.3000E+00 3.3500E-02 1.3500E+00 2.6700E-02 1.4000E+00 2.3400E-02 1.5000E+00 1.5800E-02 1.6000E+00 1.1800E-02 1.8000E+00 7.3000E-03 2.0000E+00 0.0000E+00 3.0000E+00 0.0000E+00 1.0000E+02 0.0000E+00 HCl_DISATT_H- 5.600000 -1.000000 16 1.000000 0.0000E+00 0.0000E+00 5.6000E+00 0.0000E+00 6.7500E+00 1.1500E-02 7.0000E+00 1.2900E-02 7.2000E+00 1.3800E-02 7.5000E+00 1.1500E-02 7.8500E+00 7.4000E-03 8.3000E+00 5.3000E-03 8.5000E+00 5.5000E-03 9.0000E+00 6.9000E-03 9.2500E+00 7.1000E-03 9.5000E+00 6.9000E-03 1.0000E+01 5.8000E-03 1.0500E+01 3.7000E-03 1.1000E+01 2.2000E-03 1.2000E+01 0.0000E+00 HCl_ION 12.740000 1.000000 10 1.000000 0.0000E+00 0.0000E+00 1.2740E+01 0.0000E+00 2.0000E+01 1.6000E+00 2.5000E+01 2.4600E+00 3.0000E+01 2.8600E+00 3.5000E+01 3.0700E+00 4.0000E+01 3.2100E+00 5.0000E+01 3.4100E+00 7.5000E+01 3.7500E+00 1.0000E+02 4.0700E+00 ------------------------------------------------------------------------ species CF4 # Vibr # Elct # Othr 2 2 2 mol wt g 88.0 1. CAR: 0.0 0.0 0 / CF4_MOMXFR N pairs scale 26 1. 1.0200E-03 6.3980E+01 5.7500E-03 9.7600E+00 1.8500E-02 2.6400E+00 3.1700E-02 1.4200E+00 5.2440E-02 9.4000E-01 7.8880E-02 7.8000E-01 1.1582E-01 7.0000E-01 1.5226E-01 6.8000E-01 2.3950E-01 7.0000E-01 3.3509E-01 7.6000E-01 4.5031E-01 8.5000E-01 7.0887E-01 1.1700E+00 1.0643E+00 1.7200E+00 1.6017E+00 2.8700E+00 2.4130E+00 4.2100E+00 3.2941E+00 5.2600E+00 4.7306E+00 6.1000E+00 6.7086E+00 6.4900E+00 9.8750E+00 6.4400E+00 1.4351E+01 5.9900E+00 2.6206E+01 4.5900E+00 4.5840E+01 3.3900E+00 1.1261E+02 1.7700E+00 2.4686E+02 9.9000E-01 4.5162E+02 6.1000E-01 9.7541E+02 2.8000E-01 CF4_VIBEXC_v24 5.420000E-02 5.000000 14 1.000000 5.3000E-02 1.0200E-02 5.5000E-02 4.2800E-02 5.7000E-02 1.5920E-01 6.1000E-02 2.7530E-01 6.6000E-02 4.1040E-01 7.0000E-02 4.7480E-01 7.4000E-02 5.0270E-01 8.1000E-02 5.1530E-01 8.8000E-02 5.1140E-01 9.7000E-02 4.8220E-01 2.3400E-01 2.0910E-01 3.4000E-01 1.4520E-01 7.3500E-01 6.5300E-02 4.8560E+00 1.0300E-02 CF4_VIBEXC_v13 1.120000E-01 4.000000 19 1.000000 1.1100E-01 1.0200E-02 1.2500E-01 4.4144E+00 1.2800E-01 5.8909E+00 1.4400E-01 7.4931E+00 1.7400E-01 9.1573E+00 2.3200E-01 1.0725E+01 3.1300E-01 1.1308E+01 4.6200E-01 1.0595E+01 7.4700E-01 8.7983E+00 1.2310E+00 6.2832E+00 2.2980E+00 3.9561E+00 4.3900E+00 2.7748E+00 7.4230E+00 2.1838E+00 1.1933E+01 1.7509E+00 1.6174E+01 1.3615E+00 1.9692E+01 1.0552E+00 2.2883E+01 7.8940E-01 5.0072E+01 1.4790E-01 1.6699E+02 1.0300E-02 CF4_EXC 8.000000E+00 1.000000 14 1.000000 8.4000E+00 1.0500E-02 8.4100E+00 4.0800E-02 8.4800E+00 1.1710E-01 9.6700E+00 2.2250E-01 1.3520E+01 4.1390E-01 2.1400E+01 6.2640E-01 3.4690E+01 8.0640E-01 5.9340E+01 9.4490E-01 9.4590E+01 9.6750E-01 1.4379E+02 9.4300E-01 2.5768E+02 8.0840E-01 4.0682E+02 6.5310E-01 6.0833E+02 5.0350E-01 8.2796E+02 3.9970E-01 CF4_DIS 1.250000E+01 1.000000 13 1.000000 1.3000E+01 1.1200E-02 1.3300E+01 1.3400E-01 1.4000E+01 2.4040E-01 1.6200E+01 4.2700E-01 1.9700E+01 6.1560E-01 2.7900E+01 9.3490E-01 4.5400E+01 1.4488E+00 6.8000E+01 1.7997E+00 1.0390E+02 2.0217E+00 1.7180E+02 2.0881E+00 3.0930E+02 1.9779E+00 4.7480E+02 1.7971E+00 9.4830E+02 1.3857E+00 CF4_DISATT 5.000000E+00 -1.000000 18 1.000000 5.1600E+00 9.6000E-04 5.3020E+00 1.6300E-03 5.4500E+00 2.7100E-03 5.7620E+00 5.1400E-03 6.0820E+00 8.2600E-03 6.5920E+00 1.2860E-02 7.0110E+00 1.8940E-02 7.1660E+00 2.0890E-02 7.3060E+00 2.1580E-02 7.4750E+00 2.1760E-02 7.6020E+00 2.0730E-02 8.0020E+00 1.6830E-02 8.4950E+00 1.1280E-02 8.9220E+00 6.0500E-03 9.3910E+00 3.6000E-03 9.5820E+00 2.4900E-03 9.7880E+00 1.5600E-03 9.8680E+00 9.7000E-04 CF4_ION 1.625000E+01 1.000000 15 1.000000 1.6500E+01 1.0200E-02 1.7700E+01 4.7100E-02 1.9000E+01 1.4920E-01 2.1900E+01 4.6780E-01 2.5400E+01 9.1370E-01 2.8700E+01 1.3250E+00 3.2400E+01 1.7196E+00 3.9400E+01 2.2756E+00 4.9600E+01 2.7402E+00 7.4800E+01 3.1985E+00 1.0280E+02 3.3845E+00 1.3860E+02 3.3017E+00 1.8280E+02 3.0425E+00 2.8210E+02 2.4718E+00 9.5260E+02 1.2049E+00 ------------------------------------------------------------------------ species SiH4 # Vibr # Elct # Othr 2 2 2 mol wt g 32.09 1. CAR: 0.0 0.0 0 / SiH4_MOMXFR N pairs scale 34 1. 9.4000E-03 3.2770E+01 1.3800E-02 2.9940E+01 2.0700E-02 2.5830E+01 3.2700E-02 2.1510E+01 4.3200E-02 1.8610E+01 5.6000E-02 1.5690E+01 7.2100E-02 1.2620E+01 9.5500E-02 8.7300E+00 1.2330E-01 5.4800E+00 1.4910E-01 3.5200E+00 1.6860E-01 2.3600E+00 1.8690E-01 1.5500E+00 2.0710E-01 1.2300E+00 2.2420E-01 1.1200E+00 2.3520E-01 1.0900E+00 2.5370E-01 1.1000E+00 2.7170E-01 1.1400E+00 2.9280E-01 1.2200E+00 3.1870E-01 1.3700E+00 3.7470E-01 1.9100E+00 5.2370E-01 3.6300E+00 7.6320E-01 6.5600E+00 1.1563E+00 1.1960E+01 1.4388E+00 1.6020E+01 1.7775E+00 1.9410E+01 2.0928E+00 2.0960E+01 2.3111E+00 2.1340E+01 2.6547E+00 2.1020E+01 3.8983E+00 1.9000E+01 9.1930E+00 1.4620E+01 2.0964E+01 1.0430E+01 4.1160E+01 7.7000E+00 6.8937E+01 6.1400E+00 9.4761E+01 5.1700E+00 SiH4_VIBEXC_v24 1.130000E-01 5.000000 41 1.000000 1.1800E-01 1.0100E-01 1.1900E-01 3.2600E-01 1.2100E-01 1.0630E+00 1.2500E-01 2.4950E+00 1.2800E-01 3.1960E+00 1.3300E-01 3.6910E+00 1.3800E-01 3.9990E+00 1.4600E-01 4.2520E+00 1.6300E-01 4.4250E+00 1.8300E-01 4.3950E+00 2.0000E-01 4.2650E+00 2.2900E-01 3.8920E+00 2.6600E-01 3.3820E+00 3.4800E-01 2.4230E+00 3.9200E-01 2.1700E+00 4.4100E-01 1.9590E+00 4.9400E-01 1.8420E+00 5.9100E-01 1.7600E+00 7.6300E-01 1.7480E+00 8.7600E-01 1.7580E+00 1.0260E+00 1.8440E+00 1.2260E+00 2.0840E+00 1.4220E+00 2.4990E+00 1.6930E+00 3.3870E+00 1.9470E+00 4.7110E+00 2.0970E+00 5.5430E+00 2.2530E+00 6.2530E+00 2.4150E+00 6.7040E+00 2.5610E+00 6.8750E+00 2.7090E+00 6.8010E+00 2.9030E+00 6.4080E+00 3.0570E+00 5.8490E+00 3.8130E+00 3.6520E+00 5.0100E+00 2.1760E+00 6.1990E+00 1.4790E+00 8.4540E+00 9.8600E-01 1.4464E+01 5.7400E-01 2.0159E+01 3.9400E-01 2.8329E+01 2.4400E-01 3.8359E+01 1.3900E-01 4.5261E+01 1.0000E-01 SiH4_VIBEXC_v13 2.710000E-01 4.000000 34 1.000000 2.6500E-01 1.0100E-01 2.7000E-01 1.2740E+00 2.7600E-01 1.6170E+00 2.8700E-01 1.9090E+00 3.0200E-01 2.1560E+00 3.1900E-01 2.3070E+00 3.3800E-01 2.4540E+00 3.6500E-01 2.5230E+00 3.9300E-01 2.5330E+00 4.3500E-01 2.4900E+00 4.8100E-01 2.4010E+00 5.5600E-01 2.2090E+00 7.0600E-01 1.9760E+00 7.7400E-01 1.9340E+00 8.5100E-01 1.9420E+00 9.7400E-01 2.0130E+00 1.1170E+00 2.1640E+00 1.2320E+00 2.3460E+00 1.3800E+00 2.6760E+00 1.5320E+00 3.1870E+00 1.6750E+00 3.7870E+00 1.9390E+00 5.4380E+00 2.0610E+00 6.1270E+00 2.1770E+00 6.6000E+00 2.3090E+00 6.9310E+00 2.4220E+00 7.0350E+00 2.5180E+00 7.0190E+00 2.6870E+00 6.6680E+00 2.8680E+00 5.9680E+00 4.4760E+00 1.9190E+00 6.5910E+00 8.1400E-01 8.3050E+00 4.4400E-01 1.1562E+01 2.1600E-01 1.6520E+01 1.0000E-01 SiH4_EXC 8.000000E+00 1.000000 18 1.000000 7.8000E+00 1.0100E-01 7.8300E+00 2.0400E-01 8.0300E+00 5.7500E-01 8.7300E+00 1.3440E+00 9.9300E+00 2.5430E+00 1.1560E+01 4.0630E+00 1.3480E+01 5.4090E+00 1.5960E+01 6.3810E+00 1.8540E+01 6.9010E+00 2.2000E+01 7.0940E+00 2.5990E+01 6.7140E+00 3.1040E+01 5.7880E+00 3.6130E+01 4.6140E+00 4.5420E+01 2.3470E+00 5.6980E+01 8.2200E-01 6.9070E+01 2.8200E-01 7.8200E+01 1.4400E-01 8.2490E+01 1.0100E-01 SiH4_DIS 8.400000E+00 1.000000 16 1.000000 8.8100E+00 1.0100E-01 8.8400E+00 1.8800E-01 8.9200E+00 3.9700E-01 9.3700E+00 6.5800E-01 1.0230E+01 9.4900E-01 1.1580E+01 1.2560E+00 1.3620E+01 1.6300E+00 2.5940E+01 3.5480E+00 3.6830E+01 5.2840E+00 4.3610E+01 6.0520E+00 5.0010E+01 6.5450E+00 5.4590E+01 6.6710E+00 5.8960E+01 6.5450E+00 6.5760E+01 6.1160E+00 8.1610E+01 5.0970E+00 9.2790E+01 4.6830E+00 SiH4_DISATT 7.000000E+00 -1.000000 16 1.000000 7.0050E+00 1.0100E-03 7.0200E+00 1.6500E-03 7.0300E+00 3.1300E-03 7.2030E+00 5.4400E-03 7.3900E+00 8.1700E-03 7.7290E+00 1.1890E-02 7.9810E+00 1.4380E-02 8.0500E+00 1.4720E-02 8.1540E+00 1.4820E-02 8.1710E+00 1.4600E-02 8.2770E+00 1.4080E-02 8.5830E+00 1.0690E-02 9.0160E+00 6.6400E-03 9.5320E+00 2.9400E-03 9.8430E+00 1.4800E-03 9.9700E+00 1.0000E-03 SiH4_ION 1.160000E+01 1.000000 14 1.000000 1.2220E+01 1.0000E-01 1.2290E+01 1.8400E-01 1.2780E+01 4.4200E-01 1.3650E+01 8.9700E-01 1.5490E+01 1.6260E+00 1.7610E+01 2.2830E+00 2.1490E+01 3.1770E+00 2.5770E+01 4.0290E+00 2.9170E+01 4.4880E+00 3.4690E+01 4.9380E+00 4.4940E+01 5.2950E+00 5.4590E+01 5.4200E+00 6.6610E+01 5.4550E+00 9.2590E+01 5.3520E+00 ------------------------------------------------------------------------ species CH4 # Vibr # Elct # Othr 2 4 4 mol wt g 16.01 1. CAR: 0.0 0.0 0 / CH4_MOMXFR N pairs scale 36 1. 1.0000E-02 4.0000E+01 1.5000E-02 2.4354E+01 2.0000E-02 1.7000E+01 3.0000E-02 1.0188E+01 4.0000E-02 7.3000E+00 6.0000E-02 4.6000E+00 8.0000E-02 2.9000E+00 1.0000E-01 2.0000E+00 1.5000E-01 9.9000E-01 2.0000E-01 7.0000E-01 3.0000E-01 5.6000E-01 4.0000E-01 6.5000E-01 6.0000E-01 9.5340E-01 8.0000E-01 1.4000E+00 1.0000E+00 1.9000E+00 1.5000E+00 3.1000E+00 2.0000E+00 4.4000E+00 3.0000E+00 7.2000E+00 4.0000E+00 1.0500E+01 6.0000E+00 1.4739E+01 8.0000E+00 1.6080E+01 1.0000E+01 1.5500E+01 1.5000E+01 1.2000E+01 2.0000E+01 8.0300E+00 3.0000E+01 4.2800E+00 4.0000E+01 2.9007E+00 6.0000E+01 1.8459E+00 8.0000E+01 1.4173E+00 1.0000E+02 1.1851E+00 1.5000E+02 8.9450E-01 2.0000E+02 7.5000E-01 3.0000E+02 5.9530E-01 4.0000E+02 5.0980E-01 6.0000E+02 4.1340E-01 8.0000E+02 3.5770E-01 1.0000E+03 3.2000E-01 CH4_VIBEXC_v24 1.620000E-01 5.000000 31 1.000000 0.0000E+00 0.0000E+00 1.6200E-01 0.0000E+00 2.0000E-01 1.3000E-01 2.5000E-01 5.5300E-01 3.0000E-01 6.8900E-01 4.0000E-01 7.5400E-01 5.0000E-01 7.0200E-01 6.0000E-01 6.0400E-01 8.0000E-01 4.3600E-01 1.0000E+00 3.1200E-01 1.2000E+00 2.4700E-01 1.5000E+00 2.2100E-01 2.0000E+00 2.2500E-01 2.5000E+00 2.5700E-01 3.0000E+00 3.0200E-01 4.0000E+00 4.1600E-01 5.0000E+00 5.8500E-01 6.0000E+00 7.9300E-01 6.5000E+00 9.2300E-01 7.0000E+00 1.0800E+00 7.5000E+00 1.1400E+00 8.0000E+00 1.1100E+00 9.0000E+00 9.2300E-01 1.0000E+01 7.9300E-01 1.5000E+01 5.2000E-01 2.0000E+01 4.6800E-01 4.0000E+01 3.4500E-01 7.0000E+01 2.0800E-01 1.0000E+02 1.3000E-01 1.5000E+02 6.0000E-02 2.0000E+02 0.0000E+00 CH4_VIBEXC_v13 3.620000E-01 4.000000 30 1.000000 0.0000E+00 0.0000E+00 3.6100E-01 0.0000E+00 4.5000E-01 1.3000E-01 5.0000E-01 2.0800E-01 6.0000E-01 2.9900E-01 6.6000E-01 3.1200E-01 7.5000E-01 2.9900E-01 8.4000E-01 2.6000E-01 9.0000E-01 2.3800E-01 1.0000E+00 2.0800E-01 1.2000E+00 1.7500E-01 1.5000E+00 1.5300E-01 1.8000E+00 1.4300E-01 2.0000E+00 1.4700E-01 2.5000E+00 1.8200E-01 3.0000E+00 2.4100E-01 4.0000E+00 4.2300E-01 5.0000E+00 6.5000E-01 6.0000E+00 9.1000E-01 7.0000E+00 1.1700E+00 7.5000E+00 1.2000E+00 8.0000E+00 1.1570E+00 9.0000E+00 8.8400E-01 1.0000E+01 7.2800E-01 1.5000E+01 3.6400E-01 2.0000E+01 2.8600E-01 4.0000E+01 1.6900E-01 7.0000E+01 6.5000E-02 1.0000E+02 3.9000E-02 1.5000E+02 0.0000E+00 CH4_DIS_9. 9.000000E+00 1.000000 16 1.000000 0.0000E+00 0.0000E+00 9.0000E+00 0.0000E+00 1.0000E+01 3.0000E-01 1.3000E+01 3.0000E-01 1.5000E+01 4.0000E-01 2.0000E+01 5.4000E-01 2.5000E+01 5.4000E-01 1.0000E+02 5.4000E-01 1.5000E+02 4.8500E-01 2.0000E+02 4.5000E-01 3.0000E+02 4.0000E-01 4.0000E+02 3.7500E-01 5.0000E+02 3.5000E-01 1.0000E+03 1.5000E-01 2.0000E+03 7.5000E-02 5.0000E+03 3.0000E-02 CH4_DIS_10. 1.000000E+01 1.000000 16 1.000000 0.0000E+00 0.0000E+00 1.0000E+01 0.0000E+00 1.1000E+01 3.0000E-01 1.3000E+01 3.0000E-01 1.5000E+01 4.0000E-01 2.0000E+01 5.4000E-01 2.5000E+01 5.4000E-01 1.0000E+02 5.4000E-01 1.5000E+02 4.8500E-01 2.0000E+02 4.5000E-01 3.0000E+02 4.0000E-01 4.0000E+02 3.7500E-01 5.0000E+02 3.5000E-01 1.0000E+03 1.5000E-01 2.0000E+03 7.5000E-02 5.0000E+03 3.0000E-02 CH4_DIS_11. 1.100000E+01 1.000000 16 1.000000 0.0000E+00 0.0000E+00 1.1000E+01 0.0000E+00 1.2000E+01 3.0000E-01 1.3000E+01 3.0000E-01 1.5000E+01 4.0000E-01 2.0000E+01 5.4000E-01 2.5000E+01 5.4000E-01 1.0000E+02 5.4000E-01 1.5000E+02 4.8500E-01 2.0000E+02 4.5000E-01 3.0000E+02 4.0000E-01 4.0000E+02 3.7500E-01 5.0000E+02 3.5000E-01 1.0000E+03 1.5000E-01 2.0000E+03 7.5000E-02 5.0000E+03 3.0000E-02 CH4_DIS_12. 1.200000E+01 1.000000 15 1.000000 0.0000E+00 0.0000E+00 1.2000E+01 0.0000E+00 1.3000E+01 3.0000E-01 1.5000E+01 4.0000E-01 2.0000E+01 5.4000E-01 2.5000E+01 5.4000E-01 1.0000E+02 5.4000E-01 1.5000E+02 4.8500E-01 2.0000E+02 4.5000E-01 3.0000E+02 4.0000E-01 4.0000E+02 3.7500E-01 5.0000E+02 3.5000E-01 1.0000E+03 1.5000E-01 2.0000E+03 7.5000E-02 5.0000E+03 3.0000E-02 CH4_DISATT_H- 7.700000E+00 -1.000000 5 1.000000 0.0000E+00 0.0000E+00 7.7000E+00 0.0000E+00 9.0000E+00 8.0000E-04 1.0000E+01 8.0000E-04 1.2000E+01 0.0000E+00 CH4_DISATT_CH2- 9.000000E+00 -1.000000 4 1.000000 0.0000E+00 0.0000E+00 9.0000E+00 0.0000E+00 1.0800E+01 4.0000E-04 1.3200E+01 0.0000E+00 CH4_ION_CH4+ 1.260000E+01 1.000000 18 1.000000 0.0000E+00 0.0000E+00 1.2600E+01 0.0000E+00 1.3500E+01 3.4000E-02 1.4000E+01 7.4000E-02 1.4500E+01 1.3000E-01 1.5000E+01 1.7000E-01 2.0000E+01 6.8000E-01 3.0000E+01 1.2600E+00 5.0000E+01 1.6900E+00 7.0000E+01 1.7800E+00 1.0000E+02 1.7800E+00 2.0000E+02 1.5100E+00 3.0000E+02 1.1900E+00 4.0000E+02 1.0000E+00 5.0000E+02 9.0000E-01 1.0000E+03 4.5000E-01 2.0000E+03 2.2500E-01 5.0000E+03 9.0000E-02 CH4_DISION_CH3+ 1.430000E+01 1.000000 15 1.000000 0.0000E+00 0.0000E+00 1.4300E+01 0.0000E+00 1.5000E+01 3.5000E-02 2.0000E+01 3.9000E-01 3.0000E+01 1.0400E+00 5.0000E+01 1.6100E+00 7.0000E+01 1.7800E+00 1.0000E+02 1.7800E+00 2.0000E+02 1.5100E+00 3.0000E+02 1.1900E+00 4.0000E+02 1.0000E+00 5.0000E+02 9.0000E-01 1.0000E+03 4.5000E-01 2.0000E+03 2.2500E-01 5.0000E+03 9.0000E-02 ------------------------------------------------------------------------ species SF6 # Vibr # Elct # Othr 1 3 4 mol wt g 146.06 1. CAR: 0.0 0.0 0 / SF6_MOMXFR N pairs scale 60 1. 0.0000E+00 2.7000E+03 1.0000E-03 2.6000E+03 2.0000E-03 1.9000E+03 3.0000E-03 1.5590E+03 5.0000E-03 1.2000E+03 7.0000E-03 1.0000E+03 8.5000E-03 8.9000E+02 1.0000E-02 8.0000E+02 1.5000E-02 6.6000E+02 2.0000E-02 5.6000E+02 3.0000E-02 4.3000E+02 4.0000E-02 3.4000E+02 5.0000E-02 2.7000E+02 7.0000E-02 1.7500E+02 1.0000E-01 9.0000E+01 1.2000E-01 6.2000E+01 1.5000E-01 3.5000E+01 1.7000E-01 2.7000E+01 2.0000E-01 1.9000E+01 2.5000E-01 1.2500E+01 3.0000E-01 9.7000E+00 3.5000E-01 8.0000E+00 4.0000E-01 7.3000E+00 5.0000E-01 7.0000E+00 7.0000E-01 7.1000E+00 1.0000E+00 7.7000E+00 1.2000E+00 8.0000E+00 1.3000E+00 8.2000E+00 1.5000E+00 8.8000E+00 1.7000E+00 9.2000E+00 1.9000E+00 9.7000E+00 2.1000E+00 1.0000E+01 2.2000E+00 1.0100E+01 2.5000E+00 1.0800E+01 2.8000E+00 1.1500E+01 3.0000E+00 1.1600E+01 3.3000E+00 1.2000E+01 3.6000E+00 1.2100E+01 4.0000E+00 1.2500E+01 4.5000E+00 1.3100E+01 5.0000E+00 1.3500E+01 6.0000E+00 1.4000E+01 7.0000E+00 1.4500E+01 8.0000E+00 1.5000E+01 1.0000E+01 1.6000E+01 1.2000E+01 1.6200E+01 1.5000E+01 1.6500E+01 1.7000E+01 1.6500E+01 2.0000E+01 1.6500E+01 2.5000E+01 1.6000E+01 3.0000E+01 1.5000E+01 5.0000E+01 1.4000E+01 7.0000E+01 1.2700E+01 1.0000E+02 1.0800E+01 1.5000E+02 9.0000E+00 2.0000E+02 7.9000E+00 3.0000E+02 6.6000E+00 5.0000E+02 5.0000E+00 7.0000E+02 4.2000E+00 1.0000E+03 3.5000E+00 SF6_VIBEXC 9.510000E-02 1.000000 16 1.000000 0.0000E+00 0.0000E+00 9.5000E-02 0.0000E+00 1.5000E-01 3.4000E+01 2.0000E-01 2.0000E+01 2.5000E-01 1.4800E+01 3.0000E-01 1.2600E+01 5.0000E-01 1.1100E+01 1.0000E+00 1.0000E+01 1.5000E+00 6.5000E+00 2.0000E+00 4.6000E+00 2.5000E+00 3.5000E+00 5.0000E+00 1.8000E+00 1.0000E+01 9.0000E-01 2.0000E+01 4.5000E-01 1.0000E+02 9.0000E-02 1.0000E+03 9.0000E-03 SF6_EXC_10.0 10.000000 1.000000 14 1.000000 0.0000E+00 0.0000E+00 1.0000E+01 0.0000E+00 1.2000E+01 5.0000E-01 1.4000E+01 9.0000E-01 2.0000E+01 5.0000E-01 2.5000E+01 4.0000E-01 4.0000E+01 2.2500E-01 7.0000E+01 1.3500E-01 1.0000E+02 1.0000E-01 1.5000E+02 7.0000E-02 2.0000E+02 5.5000E-02 4.0000E+02 3.0000E-02 7.0000E+02 1.8500E-02 1.0000E+03 1.2500E-02 SF6_EXC_11.7 11.700000 1.000000 18 1.000000 0.0000E+00 0.0000E+00 1.1700E+01 0.0000E+00 1.4500E+01 7.5600E-02 1.7500E+01 1.7100E-01 2.2500E+01 5.5800E-01 2.6000E+01 1.0260E+00 3.0000E+01 1.7370E+00 3.6000E+01 2.7360E+00 4.5000E+01 3.7800E+00 6.0000E+01 4.5720E+00 9.0000E+01 5.6520E+00 1.2000E+02 6.1650E+00 1.5000E+02 6.2730E+00 2.0000E+02 6.1470E+00 2.5000E+02 5.7600E+00 3.0000E+02 5.4810E+00 5.0000E+02 4.4100E+00 1.0000E+03 2.8800E+00 SF6_EXC_15.0 15.000000 1.000000 18 1.000000 0.0000E+00 0.0000E+00 1.5000E+01 0.0000E+00 1.7500E+01 6.0480E-02 1.9000E+01 1.3680E-01 2.2500E+01 4.4640E-01 2.6000E+01 8.2080E-01 3.0000E+01 1.3896E+00 3.6000E+01 2.1888E+00 4.5000E+01 3.0240E+00 6.0000E+01 3.6576E+00 9.0000E+01 4.5216E+00 1.2000E+02 4.9320E+00 1.5000E+02 5.0184E+00 2.0000E+02 4.9176E+00 2.5000E+02 4.6080E+00 3.0000E+02 4.3848E+00 5.0000E+02 3.5280E+00 1.0000E+03 2.3040E+00 SF6_ION 15.700000 1.000000 24 1.000000 0.0000E+00 0.0000E+00 1.5700E+01 0.0000E+00 1.6450E+01 8.0000E-03 1.7300E+01 3.3000E-02 1.8100E+01 7.7000E-02 1.9500E+01 1.2000E-01 2.0500E+01 1.5500E-01 2.1000E+01 3.2000E-01 2.2000E+01 4.6000E-01 2.3000E+01 6.2000E-01 2.4000E+01 8.2000E-01 2.6000E+01 1.2600E+00 3.0000E+01 1.9300E+00 3.6000E+01 3.0400E+00 4.5000E+01 4.1000E+00 6.0000E+01 5.3000E+00 9.0000E+01 6.2800E+00 1.2000E+02 6.8500E+00 1.5000E+02 6.9700E+00 2.0000E+02 6.8300E+00 2.5000E+02 6.4000E+00 3.0000E+02 6.0900E+00 5.0000E+02 4.9000E+00 1.0000E+03 3.1000E+00 SF6_ATT_SF6- 0.000000E+00 -1.000000 18 1.000000 0.0000E+00 1.4000E+03 1.0000E-03 1.3000E+03 2.0000E-03 9.0000E+02 5.0000E-03 5.7000E+02 7.0000E-03 4.8000E+02 1.0000E-02 4.0000E+02 2.0000E-02 2.8500E+02 3.0000E-02 2.3000E+02 5.0000E-02 1.4700E+02 7.0000E-02 9.5000E+01 1.0000E-01 4.9000E+01 1.2000E-01 3.3000E+01 1.5000E-01 1.6000E+01 1.7000E-01 9.5000E+00 2.0000E-01 4.2000E+00 2.5000E-01 1.0000E+00 3.0000E-01 0.0000E+00 1.0000E+03 0.0000E+00 SF6_DISATT_SF5- 0.000000E+00 -1.000000 14 1.000000 0.0000E+00 2.2750E+00 2.0000E-02 2.0800E+00 5.0000E-02 1.6250E+00 7.5000E-02 1.4950E+00 1.0000E-01 1.6640E+00 2.0000E-01 2.5480E+00 3.0000E-01 2.9835E+00 3.5000E-01 3.0680E+00 4.0000E-01 2.8990E+00 6.0000E-01 1.4040E+00 8.0000E-01 6.1425E-01 1.5000E+00 0.0000E+00 1.0000E+01 0.0000E+00 1.0000E+03 0.0000E+00 SF6_DISATT 0.000000E+00 -1.000000 28 1.000000 0.0000E+00 0.0000E+00 1.3000E+00 0.0000E+00 1.6000E+00 7.1500E-05 1.9000E+00 1.3000E-04 2.1000E+00 1.9500E-04 2.4000E+00 1.3000E-03 2.5000E+00 1.9500E-03 2.7000E+00 1.6900E-03 2.9000E+00 1.9500E-04 3.1000E+00 1.9500E-05 3.5000E+00 6.5000E-04 4.0000E+00 6.5000E-03 4.5000E+00 2.2750E-02 5.0000E+00 3.7050E-02 5.5000E+00 3.4450E-02 6.0000E+00 2.1450E-02 6.5000E+00 1.0400E-02 7.0000E+00 4.2250E-03 7.5000E+00 2.7300E-03 8.0000E+00 5.2000E-03 9.0000E+00 8.4500E-03 1.0000E+01 5.5250E-03 1.1000E+01 1.1700E-02 1.2000E+01 9.7500E-03 1.3000E+01 4.8750E-03 1.5000E+01 0.0000E+00 1.0000E+02 0.0000E+00 1.0000E+03 0.0000E+00 ------------------------------------------------------------------------ species He # Vibr # Elct # Othr 0 2 1 mol wt g 4.0 1. He_MOMXFR N pairs scale 40 1. 0.0000E+00 5.0000E+00 1.0000E-02 5.2800E+00 3.0000E-02 5.5100E+00 5.0000E-02 5.6600E+00 1.0000E-01 5.9100E+00 3.0000E-01 6.4000E+00 5.0000E-01 6.6400E+00 6.0000E-01 6.7200E+00 7.0000E-01 6.7700E+00 8.0000E-01 6.8200E+00 9.0000E-01 6.8500E+00 1.0000E+00 6.8800E+00 1.2000E+00 6.9300E+00 1.5000E+00 6.9800E+00 2.0000E+00 7.0100E+00 3.0000E+00 6.8600E+00 4.0000E+00 6.6200E+00 5.0000E+00 6.3200E+00 6.0000E+00 5.9900E+00 8.0000E+00 5.3400E+00 1.0000E+01 4.7600E+00 1.2000E+01 4.2100E+00 1.5000E+01 3.6200E+00 2.0000E+01 2.6200E+00 2.5000E+01 1.9600E+00 3.0000E+01 1.5000E+00 4.0000E+01 9.8300E-01 5.0000E+01 6.9800E-01 6.0000E+01 5.1000E-01 8.0000E+01 3.1300E-01 1.0000E+02 2.1300E-01 1.2000E+02 1.6000E-01 1.5000E+02 1.1000E-01 2.0000E+02 6.8300E-02 3.0000E+02 3.5600E-02 4.0000E+02 2.2300E-02 5.0000E+02 1.5300E-02 6.0000E+02 1.1300E-02 8.0000E+02 6.9000E-03 1.0000E+03 4.7000E-03 He_EXC_meta 2[3]S{1} + 2[1]S{0} 1.982000E+01 4.000000 10 1.000000 2.0000E+01 3.1500E-02 2.1000E+01 4.8100E-02 2.2000E+01 5.3000E-02 2.7000E+01 5.8200E-02 3.5000E+01 4.4300E-02 5.1000E+01 2.7500E-02 7.6000E+01 1.7100E-02 1.0100E+02 1.5000E-02 1.2100E+02 1.4100E-02 1.4000E+02 1.3100E-02 He_EXC_tot 1.982000E+01 1.000000 17 1.000000 3.0000E+01 1.6300E-01 4.0000E+01 1.8700E-01 5.0000E+01 1.9100E-01 6.0000E+01 2.0500E-01 7.0000E+01 1.9400E-01 8.0000E+01 1.8900E-01 9.0000E+01 1.8700E-01 1.0000E+02 1.8500E-01 1.5000E+02 1.6500E-01 2.0000E+02 1.4600E-01 3.0000E+02 1.2100E-01 5.0000E+02 8.6400E-02 7.0000E+02 6.8000E-02 1.0000E+03 5.1500E-02 2.0000E+03 3.0200E-02 3.0000E+03 2.1800E-02 4.0000E+03 1.7300E-02 He_ION 24.586000 1.000000 26 1.000000 2.4586E+01 0.0000E+00 2.6000E+01 1.7510E-02 2.8000E+01 4.2490E-02 3.0000E+01 6.7390E-02 3.2000E+01 9.2370E-02 3.4000E+01 1.1440E-01 3.8000E+01 1.5480E-01 4.5000E+01 2.1020E-01 5.0000E+01 2.4280E-01 6.0000E+01 2.9030E-01 6.5000E+01 3.0790E-01 7.0000E+01 3.2110E-01 7.5000E+01 3.3430E-01 8.0000E+01 3.4400E-01 9.0000E+01 3.5720E-01 1.0000E+02 3.6600E-01 1.1000E+02 3.7040E-01 1.2000E+02 3.7300E-01 1.3000E+02 3.7390E-01 1.4000E+02 3.7210E-01 1.5000E+02 3.6860E-01 1.7500E+02 3.5890E-01 2.0000E+02 3.4660E-01 4.0000E+02 2.5760E-01 7.0000E+02 1.7870E-01 1.0000E+03 1.3930E-01 ------------------------------------------------------------------------ species Ne # Vibr # Elct # Othr 0 2 1 mol wt g 20.179 1. Ne_MOMXFR N pairs scale 39 1. 0.0000E+00 1.6100E-01 1.0000E-02 3.1400E-01 3.0000E-02 4.4200E-01 5.0000E-02 5.3500E-01 1.0000E-01 7.0700E-01 3.0000E-01 1.1100E+00 5.0000E-01 1.3300E+00 6.0000E-01 1.4200E+00 7.0000E-01 1.4800E+00 8.0000E-01 1.5400E+00 1.0000E+00 1.6200E+00 1.2000E+00 1.6900E+00 1.5000E+00 1.7500E+00 2.0000E+00 1.8300E+00 3.0000E+00 1.9200E+00 4.0000E+00 1.9900E+00 5.0000E+00 2.0700E+00 6.0000E+00 2.1400E+00 8.0000E+00 2.2700E+00 1.0000E+01 2.4200E+00 1.2000E+01 2.5400E+00 1.5000E+01 2.7300E+00 2.0000E+01 2.9300E+00 2.5000E+01 2.9500E+00 3.0000E+01 2.9100E+00 4.0000E+01 2.7400E+00 5.0000E+01 2.4900E+00 6.0000E+01 2.2300E+00 8.0000E+01 1.8000E+00 1.0000E+02 1.4400E+00 1.2000E+02 1.1900E+00 1.5000E+02 8.7800E-01 2.0000E+02 6.1600E-01 3.0000E+02 3.7200E-01 4.0000E+02 2.5900E-01 5.0000E+02 1.9300E-01 6.0000E+02 1.5000E-01 8.0000E+02 1.0100E-01 1.0000E+03 7.2100E-02 Ne_EXC_meta 3[3]P{2} + 3[3]P{0} 1.662000E+01 6.000000 13 1.000000 1.7000E+01 1.0600E-02 1.8000E+01 1.7400E-02 2.0000E+01 2.3500E-02 2.1000E+01 2.6600E-02 2.2000E+01 3.0600E-02 2.7000E+01 3.4500E-02 3.0000E+01 3.1500E-02 4.0000E+01 2.4600E-02 5.5000E+01 2.0900E-02 8.2000E+01 1.6500E-02 1.0200E+02 1.3700E-02 1.2200E+02 1.1900E-02 1.4200E+02 1.0100E-02 Ne_EXC_tot 1.662000E+01 1.000000 17 1.000000 3.0000E+01 1.0000E-01 4.0000E+01 1.3500E-01 5.0000E+01 1.5900E-01 6.0000E+01 1.7000E-01 7.0000E+01 1.7000E-01 8.0000E+01 1.6600E-01 9.0000E+01 1.6200E-01 1.0000E+02 1.5900E-01 1.5000E+02 1.4100E-01 2.0000E+02 1.3100E-01 3.0000E+02 1.0100E-01 5.0000E+02 7.1100E-02 7.0000E+02 5.5400E-02 1.0000E+03 4.2600E-02 2.0000E+03 2.4800E-02 3.0000E+03 1.8000E-02 4.0000E+03 1.4200E-02 Ne_ION 21.564000 1.000000 33 1.000000 2.1560E+01 0.0000E+00 2.2000E+01 3.2550E-03 2.3000E+01 1.4600E-02 2.5000E+01 3.8000E-02 2.7000E+01 6.3160E-02 2.9000E+01 8.8850E-02 3.1000E+01 1.1520E-01 3.3000E+01 1.4160E-01 3.6000E+01 1.7950E-01 4.0000E+01 2.2780E-01 4.5000E+01 2.8240E-01 5.0000E+01 3.3780E-01 5.5000E+01 3.9150E-01 6.0000E+01 4.3550E-01 6.5000E+01 4.7680E-01 7.0000E+01 5.1370E-01 7.5000E+01 5.4720E-01 8.0000E+01 5.7710E-01 8.5000E+01 6.0440E-01 9.0000E+01 6.2810E-01 9.5000E+01 6.4920E-01 1.0000E+02 6.6680E-01 1.1000E+02 7.0020E-01 1.2000E+02 7.2490E-01 1.3000E+02 7.4250E-01 1.4000E+02 7.5650E-01 1.5000E+02 7.7240E-01 1.7500E+02 7.8120E-01 2.0000E+02 7.8120E-01 4.0000E+02 6.3170E-01 6.0000E+02 5.2500E-01 8.0000E+02 4.4680E-01 1.0000E+03 3.9700E-01 ------------------------------------------------------------------------ species Ar # Vibr # Elct # Othr 0 2 1 mol wt g 39.948 1. Ar_MOMXFR N pairs scale 60 1. 0.0000E+00 7.9200E+00 3.0000E-03 5.7440E+00 6.0000E-03 4.9960E+00 1.0000E-02 4.3160E+00 1.2000E-02 4.0470E+00 1.4000E-02 3.8090E+00 1.7000E-02 3.4980E+00 2.0000E-02 3.2290E+00 2.5000E-02 2.8180E+00 3.0000E-02 2.5320E+00 3.5000E-02 2.2610E+00 4.0000E-02 2.0290E+00 5.0000E-02 1.6470E+00 6.0000E-02 1.3470E+00 7.0000E-02 1.1080E+00 8.0000E-02 9.1280E-01 9.0000E-02 7.5190E-01 1.0000E-01 6.2110E-01 1.1000E-01 5.1190E-01 1.2000E-01 4.2180E-01 1.3000E-01 3.4980E-01 1.4000E-01 2.8580E-01 1.5000E-01 2.3460E-01 1.7000E-01 1.6240E-01 1.8000E-01 1.3680E-01 1.9000E-01 1.1710E-01 2.0000E-01 1.0350E-01 2.1000E-01 9.4100E-02 2.2000E-01 8.8600E-02 2.3000E-01 8.6700E-02 2.4000E-01 8.7800E-02 2.5000E-01 9.1700E-02 2.6000E-01 9.7800E-02 2.7000E-01 1.0600E-01 2.8000E-01 1.1610E-01 3.0000E-01 1.4060E-01 3.5000E-01 2.2060E-01 4.0000E-01 3.1520E-01 5.0000E-01 5.1690E-01 7.0000E-01 8.9560E-01 8.0000E-01 1.0680E+00 1.0000E+00 1.4030E+00 1.2000E+00 1.6600E+00 1.5000E+00 2.0500E+00 1.7000E+00 2.3300E+00 2.0000E+00 2.7000E+00 2.5000E+00 3.4300E+00 3.0000E+00 4.1000E+00 4.0000E+00 5.4000E+00 5.0000E+00 7.0000E+00 6.0000E+00 8.6000E+00 7.0000E+00 1.0200E+01 8.0000E+00 1.2300E+01 1.0000E+01 1.5800E+01 1.2000E+01 1.6500E+01 1.7000E+01 1.3100E+01 2.0000E+01 1.1500E+01 2.5000E+01 9.0000E+00 3.0000E+01 7.2000E+00 7.5000E+01 3.5000E+00 Ar_EXC_meta 4[3]P{2} + 4[3]P{0} 1.155000E+01 6.000000 17 1.000000 1.2000E+01 1.5000E-02 1.3000E+01 7.0000E-02 1.5000E+01 1.1300E-01 1.7000E+01 2.6000E-01 1.8000E+01 3.0000E-01 2.0000E+01 3.4500E-01 2.1000E+01 3.5000E-01 2.2000E+01 3.5500E-01 2.7000E+01 3.0000E-01 3.5000E+01 1.8800E-01 4.0000E+01 1.3900E-01 5.5000E+01 6.0000E-02 6.0000E+01 5.0000E-02 8.2000E+01 3.9000E-02 1.0200E+02 3.5000E-02 1.2200E+02 3.1000E-02 1.4200E+02 2.8000E-02 Ar_EXC_tot 1.155000E+01 1.000000 18 1.000000 2.0000E+01 5.0900E-01 3.0000E+01 7.4500E-01 4.0000E+01 7.8800E-01 5.0000E+01 7.7000E-01 6.0000E+01 7.5600E-01 7.0000E+01 7.3700E-01 8.0000E+01 7.1900E-01 9.0000E+01 7.0800E-01 1.0000E+02 7.0100E-01 1.5000E+02 6.4700E-01 2.0000E+02 5.3800E-01 3.0000E+02 4.0800E-01 5.0000E+02 2.8300E-01 7.0000E+02 2.1900E-01 1.0000E+03 1.6700E-01 2.0000E+03 9.6300E-02 3.0000E+03 6.9200E-02 4.0000E+03 5.4600E-02 Ar_ION 15.759000 1.000000 40 1.000000 1.5759E+01 0.0000E+00 1.6000E+01 2.0230E-02 1.7000E+01 1.3370E-01 1.8000E+01 2.9380E-01 1.9000E+01 4.6010E-01 2.0000E+01 6.2720E-01 2.1000E+01 7.8730E-01 2.2000E+01 9.3250E-01 2.3000E+01 1.0560E+00 2.4000E+01 1.1790E+00 2.5000E+01 1.3020E+00 2.6000E+01 1.4080E+00 2.8000E+01 1.6010E+00 3.0000E+01 1.8030E+00 3.2000E+01 1.9620E+00 3.4000E+01 2.1110E+00 3.6000E+01 2.2430E+00 3.8000E+01 2.3310E+00 4.0000E+01 2.3930E+00 4.2500E+01 2.4460E+00 4.5000E+01 2.4900E+00 5.0000E+01 2.5340E+00 5.5000E+01 2.5950E+00 6.0000E+01 2.6570E+00 6.5000E+01 2.7270E+00 7.0000E+01 2.7710E+00 7.5000E+01 2.8150E+00 8.0000E+01 2.8410E+00 8.5000E+01 2.8500E+00 9.0000E+01 2.8590E+00 1.0000E+02 2.8500E+00 1.1500E+02 2.8240E+00 1.3000E+02 2.7620E+00 1.4500E+02 2.7090E+00 1.6000E+02 2.6220E+00 1.8000E+02 2.5160E+00 2.0000E+02 2.3930E+00 4.0000E+02 1.6900E+00 7.0000E+02 1.1700E+00 1.0000E+03 9.2700E-01 ------------------------------------------------------------------------ species Kr # Vibr # Elct # Othr 0 2 1 mol wt g 83.80 1. Kr_MOMXFR_#2 N pairs scale 21 1. 5.0000E-02 1.4200E+01 1.0000E-01 7.4700E+00 3.0000E-01 9.3000E-01 5.0000E-01 1.3300E-01 6.0000E-01 1.1600E-01 7.0000E-01 2.0400E-01 8.0000E-01 3.4400E-01 9.0000E-01 5.2500E-01 1.0000E+00 7.1000E-01 1.2000E+00 1.1300E+00 1.5000E+00 1.8700E+00 2.0000E+00 3.3500E+00 3.0000E+00 6.4200E+00 4.0000E+00 1.0100E+01 5.0000E+00 1.2900E+01 6.0000E+00 1.4900E+01 8.0000E+00 1.6900E+01 1.0000E+01 1.6900E+01 1.2000E+01 1.3800E+01 1.5000E+01 9.7400E+00 2.0000E+01 6.1800E+00 Kr_EXC_meta 5[3]P{2} + 5[3]P{0} 9.920000E+00 6.000000 18 1.000000 1.0000E+01 5.0000E-02 1.1000E+01 7.8000E-02 1.2000E+01 1.3100E-01 1.3000E+01 2.1500E-01 1.5000E+01 2.6800E-01 1.7000E+01 2.8400E-01 1.8000E+01 2.8300E-01 2.0000E+01 2.6700E-01 2.2000E+01 2.4800E-01 3.0000E+01 1.2000E-01 4.0000E+01 5.0000E-02 5.5000E+01 2.6000E-02 6.0000E+01 2.4000E-02 8.0000E+01 2.2000E-02 1.0000E+02 2.0000E-02 1.2000E+02 1.8000E-02 1.4000E+02 1.7000E-02 1.5000E+02 1.7000E-02 Kr_EXC_tot 9.920000E+00 1.000000 18 1.000000 2.0000E+01 7.3000E-01 3.0000E+01 9.8300E-01 4.0000E+01 1.0000E+00 5.0000E+01 9.7700E-01 6.0000E+01 9.4900E-01 7.0000E+01 9.2700E-01 8.0000E+01 9.0700E-01 9.0000E+01 8.9900E-01 1.0000E+02 8.8200E-01 1.5000E+02 7.5600E-01 2.0000E+02 6.2200E-01 3.0000E+02 4.7900E-01 5.0000E+02 3.3000E-01 7.0000E+02 2.5500E-01 1.0000E+03 1.9900E-01 2.0000E+03 1.1200E-01 3.0000E+03 8.1200E-02 4.0000E+03 6.3800E-02 Kr_ION 13.999000 1.000000 36 1.000000 1.3999E+01 0.0000E+00 1.4500E+01 7.8290E-02 1.7500E+01 6.8350E-01 1.8500E+01 9.0620E-01 2.0500E+01 1.3110E+00 2.1500E+01 1.4950E+00 2.2500E+01 1.6710E+00 2.3500E+01 1.8470E+00 2.6000E+01 2.2430E+00 2.8000E+01 2.5250E+00 3.0000E+01 2.7710E+00 3.2000E+01 2.9650E+00 3.4000E+01 3.1320E+00 3.6000E+01 3.2640E+00 3.8000E+01 3.3870E+00 4.0000E+01 3.4920E+00 4.5000E+01 3.6680E+00 5.0000E+01 3.8350E+00 5.5000E+01 3.9670E+00 6.0000E+01 4.0910E+00 6.5000E+01 4.1700E+00 7.0000E+01 4.2140E+00 8.0000E+01 4.2580E+00 9.0000E+01 4.2310E+00 1.0000E+02 4.1960E+00 1.0500E+02 4.1790E+00 1.1500E+02 4.1170E+00 1.2500E+02 4.0380E+00 1.3500E+02 3.9590E+00 1.4500E+02 3.8790E+00 1.6000E+02 3.7480E+00 1.8000E+02 3.6070E+00 2.0000E+02 3.4570E+00 4.0000E+02 2.4840E+00 6.0000E+02 1.9400E+00 8.0000E+02 1.6200E+00 ------------------------------------------------------------------------ species Xe # Vibr # Elct # Othr 0 2 1 mol wt g 131.30 1. Xe_MOMXFR_#1 N pairs scale 26 1. 1.0000E-02 1.1600E+02 2.0000E-02 8.0000E+01 3.0000E-02 6.1000E+01 4.0000E-02 4.8000E+01 5.0000E-02 3.9500E+01 7.0000E-02 2.9000E+01 9.0000E-02 2.3000E+01 1.1000E-01 1.8000E+01 1.5000E-01 1.3000E+01 2.0000E-01 8.3000E+00 2.5000E-01 5.7000E+00 3.0000E-01 3.7000E+00 4.0000E-01 1.5000E+00 5.0000E-01 5.5000E-01 6.0000E-01 4.0000E-01 7.0000E-01 4.0000E-01 8.0000E-01 6.0000E-01 9.0000E-01 1.1000E+00 1.0000E+00 1.6000E+00 1.2000E+00 3.0000E+00 1.5000E+00 5.5000E+00 2.0000E+00 1.1000E+01 2.5000E+00 1.8000E+01 3.0000E+00 2.4000E+01 4.0000E+00 3.3000E+01 5.0000E+00 3.7000E+01 Xe_EXC_meta 6[3]P{2} + 6[3]P{0} 8.320000E+00 6.000000 20 1.000000 9.0000E+00 2.4600E-01 1.0000E+01 3.1800E-01 1.1000E+01 6.9100E-01 1.2000E+01 9.9600E-01 1.3000E+01 1.0770E+00 1.5000E+01 1.1690E+00 1.7000E+01 1.0920E+00 1.8000E+01 1.0330E+00 2.0000E+01 9.2300E-01 2.1000E+01 8.2000E-01 2.2000E+01 7.2400E-01 2.7000E+01 3.6800E-01 3.5000E+01 1.6900E-01 5.1000E+01 1.0500E-01 6.0000E+01 1.0000E-01 8.0000E+01 9.0000E-02 1.0000E+02 8.5000E-02 1.2000E+02 7.5000E-02 1.4000E+02 7.0000E-02 1.5000E+02 7.0000E-02 Xe_EXC_tot 8.320000E+00 1.000000 22 1.000000 8.5000E+00 2.6000E-02 1.0000E+01 1.8000E-01 1.2500E+01 1.0500E+00 1.5000E+01 2.1400E+00 2.0000E+01 3.7300E+00 3.0000E+01 3.5700E+00 4.0000E+01 2.8500E+00 5.0000E+01 2.4000E+00 6.0000E+01 2.1000E+00 7.0000E+01 1.8500E+00 8.0000E+01 1.6600E+00 9.0000E+01 1.5200E+00 1.0000E+02 1.3800E+00 1.5000E+02 1.0000E+00 2.0000E+02 8.0000E-01 3.0000E+02 5.6800E-01 5.0000E+02 3.9500E-01 7.0000E+02 3.0200E-01 1.0000E+03 2.3100E-01 2.0000E+03 1.3200E-01 3.0000E+03 9.5000E-02 4.0000E+03 7.5000E-02 Xe_ION 12.130000 1.000000 49 1.000000 1.2130E+01 0.0000E+00 1.2500E+01 1.1000E-01 1.3000E+01 2.5600E-01 1.3500E+01 4.1260E-01 1.4000E+01 5.7180E-01 1.4500E+01 7.4250E-01 1.5000E+01 9.0610E-01 1.5500E+01 1.0730E+00 1.6000E+01 1.2320E+00 1.6500E+01 1.3810E+00 1.7000E+01 1.5310E+00 1.7500E+01 1.6710E+00 1.8000E+01 1.8030E+00 1.9000E+01 2.0500E+00 2.0000E+01 2.2780E+00 2.1000E+01 2.4900E+00 2.2000E+01 2.7360E+00 2.3000E+01 2.9230E+00 2.4000E+01 3.0970E+00 2.6000E+01 3.3690E+00 2.8000E+01 3.6160E+00 3.0000E+01 3.8530E+00 3.2000E+01 4.0470E+00 3.4000E+01 4.1870E+00 3.6000E+01 4.2930E+00 3.8000E+01 4.3900E+00 4.0000E+01 4.4780E+00 4.5000E+01 4.6800E+00 5.0000E+01 4.8380E+00 5.5000E+01 4.9440E+00 6.0000E+01 5.0320E+00 6.5000E+01 5.0850E+00 7.0000E+01 5.1200E+00 8.0000E+01 5.1810E+00 9.0000E+01 5.2690E+00 1.0000E+02 5.3840E+00 1.1000E+02 5.4540E+00 1.2000E+02 5.4540E+00 1.3000E+02 5.4190E+00 1.4000E+02 5.2870E+00 1.5000E+02 5.1900E+00 1.6000E+02 5.0670E+00 1.8000E+02 4.8380E+00 2.0000E+02 4.5830E+00 3.0000E+02 3.8900E+00 4.0000E+02 3.3600E+00 6.0000E+02 2.6000E+00 8.0000E+02 2.1970E+00 1.0000E+03 1.8850E+00