##TITLE= pyrazine
##JCAMP-DX=5.01
##DATA TYPE= LINK
##BLOCKS= 2
##TITLE= pyrazine C4N2H4 D2h
##JCAMP-DX= 5.01
##DATA TYPE= IR SPECTRUM
##DATA CLASS= XYDATA
##ORIGIN= JSpecView Converted
##OWNER= JSpecView Generated
##LONGDATE= Sat, 23 Feb 2019 17:26:06 -0500 $$ export date from JSpecView
##SPECTROMETER/DATA SYSTEM= computed
##$MODELS=
<Models>
<ModelData id="IRP" type="MOL">
pyrazine  C4N2H4
__Jmol-14_02231918003D 1   1.00000     0.00000     0
Jmol version 14.29.31  2019-01-29 15:30 EXTRACT: ({0:9})
 10 10  0  0  0  0            999 V2000
   -1.2337    0.7123    0.0000 C   0  0  0  0  0  0
   -1.2337   -0.7123    0.0000 C   0  0  0  0  0  0
    0.0000   -1.4245    0.0000 N   0  0  0  0  0  0
    1.2337   -0.7123    0.0000 C   0  0  0  0  0  0
    1.2337    0.7123    0.0000 C   0  0  0  0  0  0
    0.0000    1.4245    0.0000 N   0  0  0  0  0  0
    2.1776    1.2573    0.0000 H   0  0  0  0  0  0
    2.1776   -1.2573    0.0000 H   0  0  0  0  0  0
   -2.1776   -1.2573    0.0000 H   0  0  0  0  0  0
   -2.1776    1.2573    0.0000 H   0  0  0  0  0  0
  1  2  2  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  6  1  1  0  0  0
  1 10  1  0  0  0
  2  9  1  0  0  0
  4  8  1  0  0  0
  5  7  1  0  0  0
M  END

</ModelData>
<ModelData id="Mi" type="XYZVIB" baseModel="IRP" vibrationScale=".5">
10
Model[1]: PATH=Calculation 1;Standard;Energy=-262.62772;Range=M.O.s;NFock==Conv=0.22D-08;E(RHF)=-262.627707891 A.U.;PATH=Calculation 1;Standard
C      -1.23365      0.71225      0.00000
C      -1.23365     -0.71225      0.00000
N       0.00000     -1.42450      0.00000
C       1.23365     -0.71225      0.00000
C       1.23365      0.71225      0.00000
N       0.00000      1.42450      0.00000
H       2.17762      1.25725      0.00000
H       2.17762     -1.25725      0.00000
H      -2.17762     -1.25725      0.00000
H      -2.17762      1.25725      0.00000
10
Model[2]: FrequencyLabel=B3U;ForceConstant=0.3174 mDyne/A;ReducedMass=12.4765 AMU;FreqValue=-207.7883;Frequency=-207.7883 cm^-1;Mode=1;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=39.3446 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000     -0.25000     -0.28000     -0.00000
C      -1.23365     -0.71225     -0.00000     -0.25000      0.28000     -0.00000
N      -0.00000     -1.42450     -0.00000      0.45000     -0.00000      0.00000
C       1.23365     -0.71225     -0.00000     -0.25000     -0.28000     -0.00000
C       1.23365      0.71225      0.00000     -0.25000      0.28000     -0.00000
N       0.00000      1.42450     -0.00000      0.45000     -0.00000      0.00000
H       2.17762      1.25725      0.00000     -0.08000      0.03000      0.00000
H       2.17762     -1.25725     -0.00000     -0.08000     -0.03000     -0.00000
H      -2.17762     -1.25725      0.00000     -0.08000      0.03000      0.00000
H      -2.17762      1.25725     -0.00000     -0.08000     -0.03000     -0.00000
10
Model[3]: FrequencyLabel=AU;ForceConstant=0.3829 mDyne/A;ReducedMass=2.4223 AMU;FreqValue=517.9443;Frequency=517.9443 cm^-1;Mode=2;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000      0.00000     -0.00000      0.18001
C      -1.23365     -0.71225     -0.00000      0.00000      0.00000     -0.18001
N      -0.00000     -1.42450     -0.00000      0.00000     -0.00000      0.00000
C       1.23365     -0.71225     -0.00000     -0.00000      0.00000      0.18001
C       1.23365      0.71225      0.00000     -0.00000      0.00000     -0.18001
N       0.00000      1.42450     -0.00000      0.00000      0.00000      0.00000
H       2.17762      1.25725      0.00000     -0.00000     -0.00000     -0.47000
H       2.17762     -1.25725     -0.00000     -0.00000      0.00000      0.47000
H      -2.17762     -1.25725      0.00000      0.00000      0.00000     -0.47000
H      -2.17762      1.25725     -0.00000      0.00000     -0.00000      0.47000
10
Model[4]: FrequencyLabel=B1U;ForceConstant=1.6051 mDyne/A;ReducedMass=7.3439 AMU;FreqValue=609.0589;Frequency=609.0589 cm^-1;Mode=3;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=28.8126 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000     -0.00000      0.00000     -0.21000
C      -1.23365     -0.71225     -0.00000      0.00000      0.00000     -0.21000
N      -0.00000     -1.42450     -0.00000     -0.00000     -0.00000      0.41000
C       1.23365     -0.71225     -0.00000      0.00000     -0.00000     -0.21000
C       1.23365      0.71225      0.00000     -0.00000     -0.00000     -0.21000
N       0.00000      1.42450     -0.00000     -0.00000      0.00000      0.41000
H       2.17762      1.25725      0.00000     -0.00000     -0.00000     -0.35000
H       2.17762     -1.25725     -0.00000      0.00000     -0.00000     -0.35000
H      -2.17762     -1.25725      0.00000      0.00000      0.00000     -0.35000
H      -2.17762      1.25725     -0.00000     -0.00000      0.00000     -0.35000
10
Model[5]: FrequencyLabel=AG;ForceConstant=2.4960 mDyne/A;ReducedMass=9.7450 AMU;FreqValue=659.3377;Frequency=659.3377 cm^-1;Mode=4;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000     -0.27001     -0.06000      0.00000
C      -1.23365     -0.71225     -0.00000     -0.27001      0.06000     -0.00000
N      -0.00000     -1.42450     -0.00000      0.00000      0.45000     -0.00000
C       1.23365     -0.71225     -0.00000      0.27001      0.06000      0.00000
C       1.23365      0.71225      0.00000      0.27001     -0.06000     -0.00000
N       0.00000      1.42450     -0.00000     -0.00000     -0.45000      0.00000
H       2.17762      1.25725      0.00000      0.10000      0.24000     -0.00000
H       2.17762     -1.25725     -0.00000      0.10000     -0.24000      0.00000
H      -2.17762     -1.25725      0.00000     -0.10000     -0.24000     -0.00000
H      -2.17762      1.25725     -0.00000     -0.10000      0.24000      0.00000
10
Model[6]: FrequencyLabel=B1G;ForceConstant=2.1920 mDyne/A;ReducedMass=7.3024 AMU;FreqValue=713.7850;Frequency=713.7850 cm^-1;Mode=5;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000     -0.21000      0.27001      0.00000
C      -1.23365     -0.71225     -0.00000      0.21000      0.27001      0.00000
N      -0.00000     -1.42450     -0.00000      0.21000     -0.00000     -0.00000
C       1.23365     -0.71225     -0.00000      0.21000     -0.27001      0.00000
C       1.23365      0.71225      0.00000     -0.21000     -0.27001      0.00000
N       0.00000      1.42450     -0.00000     -0.21000      0.00000     -0.00000
H       2.17762      1.25725      0.00000     -0.30001     -0.14000     -0.00000
H       2.17762     -1.25725     -0.00000      0.30001     -0.14000     -0.00000
H      -2.17762     -1.25725      0.00000      0.30001      0.14000     -0.00000
H      -2.17762      1.25725     -0.00000     -0.30001      0.14000     -0.00000
10
Model[7]: FrequencyLabel=B3G;ForceConstant=1.8758 mDyne/A;ReducedMass=4.3101 AMU;FreqValue=859.4510;Frequency=859.4510 cm^-1;Mode=6;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000     -0.00000      0.00000      0.21000
C      -1.23365     -0.71225     -0.00000     -0.00000     -0.00000     -0.21000
N      -0.00000     -1.42450     -0.00000     -0.00000     -0.00000      0.23001
C       1.23365     -0.71225     -0.00000      0.00000     -0.00000     -0.21000
C       1.23365      0.71225      0.00000      0.00000      0.00000      0.21000
N       0.00000      1.42450     -0.00000     -0.00000      0.00000     -0.23001
H       2.17762      1.25725      0.00000      0.00000      0.00000      0.42000
H       2.17762     -1.25725     -0.00000      0.00000     -0.00000     -0.42000
H      -2.17762     -1.25725      0.00000     -0.00000     -0.00000     -0.42000
H      -2.17762      1.25725     -0.00000     -0.00000      0.00000      0.42000
10
Model[8]: FrequencyLabel=AG;ForceConstant=3.4934 mDyne/A;ReducedMass=7.8306 AMU;FreqValue=870.1598;Frequency=870.1598 cm^-1;Mode=7;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000      0.30001     -0.09000      0.00000
C      -1.23365     -0.71225     -0.00000      0.30001      0.09000     -0.00000
N      -0.00000     -1.42450     -0.00000      0.00000      0.31000      0.00000
C       1.23365     -0.71225     -0.00000     -0.30001      0.09000     -0.00000
C       1.23365      0.71225      0.00000     -0.30001     -0.09000      0.00000
N       0.00000      1.42450     -0.00000     -0.00000     -0.31000     -0.00000
H       2.17762      1.25725      0.00000     -0.30001     -0.12000      0.00000
H       2.17762     -1.25725     -0.00000     -0.30001      0.12000     -0.00000
H      -2.17762     -1.25725      0.00000      0.30001      0.12000     -0.00000
H      -2.17762      1.25725     -0.00000      0.30001     -0.12000      0.00000
10
Model[9]: FrequencyLabel=B1U;ForceConstant=0.5785 mDyne/A;ReducedMass=1.1288 AMU;FreqValue=932.6357;Frequency=932.6357 cm^-1;Mode=8;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=42.1408 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000     -0.00000      0.00000     -0.05000
C      -1.23365     -0.71225     -0.00000     -0.00000      0.00000     -0.05000
N      -0.00000     -1.42450     -0.00000      0.00000     -0.00000      0.02000
C       1.23365     -0.71225     -0.00000      0.00000     -0.00000     -0.05000
C       1.23365      0.71225      0.00000     -0.00000     -0.00000     -0.05000
N       0.00000      1.42450     -0.00000     -0.00000     -0.00000      0.02000
H       2.17762      1.25725      0.00000     -0.00000      0.00000      0.50000
H       2.17762     -1.25725     -0.00000      0.00000      0.00000      0.50000
H      -2.17762     -1.25725      0.00000     -0.00000      0.00000      0.50000
H      -2.17762      1.25725     -0.00000      0.00000      0.00000      0.50000
10
Model[10]: FrequencyLabel=B2U;ForceConstant=1.8076 mDyne/A;ReducedMass=3.3429 AMU;FreqValue=958.0074;Frequency=958.0074 cm^-1;Mode=9;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=27.4273 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000     -0.12000     -0.10000     -0.00000
C      -1.23365     -0.71225     -0.00000      0.12000     -0.10000     -0.00000
N      -0.00000     -1.42450     -0.00000      0.00000      0.22000      0.00000
C       1.23365     -0.71225     -0.00000     -0.12000     -0.10000     -0.00000
C       1.23365      0.71225      0.00000      0.12000     -0.10000     -0.00000
N       0.00000      1.42450     -0.00000      0.00000      0.22000     -0.00000
H       2.17762      1.25725      0.00000      0.28000     -0.35000      0.00000
H       2.17762     -1.25725     -0.00000     -0.28000     -0.35000      0.00000
H      -2.17762     -1.25725      0.00000      0.28000     -0.35000      0.00000
H      -2.17762      1.25725     -0.00000     -0.28000     -0.35000      0.00000
10
Model[11]: FrequencyLabel=B2G;ForceConstant=0.8176 mDyne/A;ReducedMass=1.2442 AMU;FreqValue=1056.1017;Frequency=1056.1017 cm^-1;Mode=10;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000     -0.00000      0.00000      0.07000
C      -1.23365     -0.71225     -0.00000      0.00000      0.00000      0.07000
N      -0.00000     -1.42450     -0.00000     -0.00000     -0.00000     -0.00000
C       1.23365     -0.71225     -0.00000     -0.00000      0.00000     -0.07000
C       1.23365      0.71225      0.00000      0.00000      0.00000     -0.07000
N       0.00000      1.42450     -0.00000      0.00000     -0.00000      0.00000
H       2.17762      1.25725      0.00000      0.00000      0.00000      0.49001
H       2.17762     -1.25725     -0.00000     -0.00000     -0.00000      0.49001
H      -2.17762     -1.25725      0.00000      0.00000      0.00000     -0.49001
H      -2.17762      1.25725     -0.00000     -0.00000      0.00000     -0.49001
10
Model[12]: FrequencyLabel=B2U;ForceConstant=4.6411 mDyne/A;ReducedMass=6.6842 AMU;FreqValue=1085.5717;Frequency=1085.5717 cm^-1;Mode=11;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=22.9056 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000      0.28000     -0.13000      0.00000
C      -1.23365     -0.71225     -0.00000     -0.28000     -0.13000      0.00000
N      -0.00000     -1.42450     -0.00000     -0.00000      0.23001     -0.00000
C       1.23365     -0.71225     -0.00000      0.28000     -0.13000     -0.00000
C       1.23365      0.71225      0.00000     -0.28000     -0.13000     -0.00000
N       0.00000      1.42450     -0.00000     -0.00000      0.23001      0.00000
H       2.17762      1.25725      0.00000     -0.35000     -0.05000      0.00000
H       2.17762     -1.25725     -0.00000      0.35000     -0.05000      0.00000
H      -2.17762     -1.25725      0.00000     -0.35000     -0.05000     -0.00000
H      -2.17762      1.25725     -0.00000      0.35000     -0.05000     -0.00000
10
Model[13]: FrequencyLabel=B3G;ForceConstant=0.9259 mDyne/A;ReducedMass=1.2933 AMU;FreqValue=1102.3029;Frequency=1102.3029 cm^-1;Mode=12;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000     -0.00000     -0.00000     -0.08000
C      -1.23365     -0.71225     -0.00000      0.00000      0.00000      0.08000
N      -0.00000     -1.42450     -0.00000     -0.00000     -0.00000     -0.01000
C       1.23365     -0.71225     -0.00000      0.00000     -0.00000      0.08000
C       1.23365      0.71225      0.00000      0.00000      0.00000     -0.08000
N       0.00000      1.42450     -0.00000     -0.00000     -0.00000      0.01000
H       2.17762      1.25725      0.00000     -0.00000      0.00000      0.49001
H       2.17762     -1.25725     -0.00000      0.00000     -0.00000     -0.49001
H      -2.17762     -1.25725      0.00000      0.00000      0.00000     -0.49001
H      -2.17762      1.25725     -0.00000     -0.00000     -0.00000      0.49001
10
Model[14]: FrequencyLabel=AU;ForceConstant=1.1141 mDyne/A;ReducedMass=1.5089 AMU;FreqValue=1119.4454;Frequency=1119.4454 cm^-1;Mode=13;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000     -0.00000      0.00000      0.11000
C      -1.23365     -0.71225     -0.00000     -0.00000     -0.00000     -0.11000
N      -0.00000     -1.42450     -0.00000      0.00000      0.00000      0.00000
C       1.23365     -0.71225     -0.00000     -0.00000      0.00000      0.11000
C       1.23365      0.71225      0.00000     -0.00000     -0.00000     -0.11000
N       0.00000      1.42450     -0.00000      0.00000     -0.00000      0.00000
H       2.17762      1.25725      0.00000      0.00000     -0.00000      0.49001
H       2.17762     -1.25725     -0.00000      0.00000      0.00000     -0.49001
H      -2.17762     -1.25725      0.00000      0.00000     -0.00000      0.49001
H      -2.17762      1.25725     -0.00000      0.00000      0.00000     -0.49001
10
Model[15]: FrequencyLabel=B3U;ForceConstant=1.7195 mDyne/A;ReducedMass=2.3021 AMU;FreqValue=1125.9481;Frequency=1125.9481 cm^-1;Mode=14;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=31.3704 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000     -0.07000      0.14000     -0.00000
C      -1.23365     -0.71225     -0.00000     -0.07000     -0.14000      0.00000
N      -0.00000     -1.42450     -0.00000      0.10000      0.00000      0.00000
C       1.23365     -0.71225     -0.00000     -0.07000      0.14000     -0.00000
C       1.23365      0.71225      0.00000     -0.07000     -0.14000      0.00000
N       0.00000      1.42450     -0.00000      0.10000      0.00000     -0.00000
H       2.17762      1.25725      0.00000      0.11000     -0.46001     -0.00000
H       2.17762     -1.25725     -0.00000      0.11000      0.46001      0.00000
H      -2.17762     -1.25725      0.00000      0.11000     -0.46001     -0.00000
H      -2.17762      1.25725     -0.00000      0.11000      0.46001      0.00000
10
Model[16]: FrequencyLabel=AG;ForceConstant=1.3090 mDyne/A;ReducedMass=1.4420 AMU;FreqValue=1241.2350;Frequency=1241.2350 cm^-1;Mode=15;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000      0.02000      0.10000     -0.00000
C      -1.23365     -0.71225     -0.00000      0.02000     -0.10000      0.00000
N      -0.00000     -1.42450     -0.00000      0.00000      0.01000     -0.00000
C       1.23365     -0.71225     -0.00000     -0.02000     -0.10000      0.00000
C       1.23365      0.71225      0.00000     -0.02000      0.10000     -0.00000
N       0.00000      1.42450     -0.00000     -0.00000     -0.01000      0.00000
H       2.17762      1.25725      0.00000     -0.22000      0.44000     -0.00000
H       2.17762     -1.25725     -0.00000     -0.22000     -0.44000     -0.00000
H      -2.17762     -1.25725      0.00000      0.22000     -0.44000     -0.00000
H      -2.17762      1.25725     -0.00000      0.22000      0.44000      0.00000
10
Model[17]: FrequencyLabel=B1G;ForceConstant=3.9928 mDyne/A;ReducedMass=4.3279 AMU;FreqValue=1251.3391;Frequency=1251.3391 cm^-1;Mode=16;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000      0.17000      0.02000     -0.00000
C      -1.23365     -0.71225     -0.00000     -0.17000      0.02000      0.00000
N      -0.00000     -1.42450     -0.00000      0.28000     -0.00000     -0.00000
C       1.23365     -0.71225     -0.00000     -0.17000     -0.02000      0.00000
C       1.23365      0.71225      0.00000      0.17000     -0.02000     -0.00000
N       0.00000      1.42450     -0.00000     -0.28000      0.00000      0.00000
H       2.17762      1.25725      0.00000      0.32000     -0.28000      0.00000
H       2.17762     -1.25725     -0.00000     -0.32000     -0.28000     -0.00000
H      -2.17762     -1.25725      0.00000     -0.32000      0.28000     -0.00000
H      -2.17762      1.25725     -0.00000      0.32000      0.28000     -0.00000
10
Model[18]: FrequencyLabel=B3U;ForceConstant=1.8881 mDyne/A;ReducedMass=1.4922 AMU;FreqValue=1465.4849;Frequency=1465.4849 cm^-1;Mode=17;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=38.5855 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000     -0.01000      0.09000     -0.00000
C      -1.23365     -0.71225     -0.00000     -0.01000     -0.09000      0.00000
N      -0.00000     -1.42450     -0.00000      0.07000      0.00000      0.00000
C       1.23365     -0.71225     -0.00000     -0.01000      0.09000     -0.00000
C       1.23365      0.71225      0.00000     -0.01000     -0.09000      0.00000
N       0.00000      1.42450     -0.00000      0.07000      0.00000     -0.00000
H       2.17762      1.25725      0.00000     -0.32000      0.37000     -0.00000
H       2.17762     -1.25725     -0.00000     -0.32000     -0.37000     -0.00000
H      -2.17762     -1.25725      0.00000     -0.32000      0.37000     -0.00000
H      -2.17762      1.25725     -0.00000     -0.32000     -0.37000      0.00000
10
Model[19]: FrequencyLabel=B1G;ForceConstant=1.8033 mDyne/A;ReducedMass=1.3748 AMU;FreqValue=1492.0664;Frequency=1492.0664 cm^-1;Mode=18;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000      0.07000      0.05000     -0.00000
C      -1.23365     -0.71225     -0.00000     -0.07000      0.05000      0.00000
N      -0.00000     -1.42450     -0.00000      0.02000     -0.00000     -0.00000
C       1.23365     -0.71225     -0.00000     -0.07000     -0.05000     -0.00000
C       1.23365      0.71225      0.00000      0.07000     -0.05000     -0.00000
N       0.00000      1.42450     -0.00000     -0.02000      0.00000      0.00000
H       2.17762      1.25725      0.00000     -0.22000      0.44000     -0.00000
H       2.17762     -1.25725     -0.00000      0.22000      0.44000      0.00000
H      -2.17762     -1.25725      0.00000      0.22000     -0.44000     -0.00000
H      -2.17762      1.25725     -0.00000     -0.22000     -0.44000      0.00000
10
Model[20]: FrequencyLabel=B2U;ForceConstant=1.9102 mDyne/A;ReducedMass=1.3662 AMU;FreqValue=1540.4934;Frequency=1540.4934 cm^-1;Mode=19;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=11.2707 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000     -0.06000     -0.06000      0.00000
C      -1.23365     -0.71225     -0.00000      0.06000     -0.06000     -0.00000
N      -0.00000     -1.42450     -0.00000      0.00000      0.04000     -0.00000
C       1.23365     -0.71225     -0.00000     -0.06000     -0.06000     -0.00000
C       1.23365      0.71225      0.00000      0.06000     -0.06000     -0.00000
N       0.00000      1.42450     -0.00000      0.00000      0.04000      0.00000
H       2.17762      1.25725      0.00000     -0.23001      0.43000     -0.00000
H       2.17762     -1.25725     -0.00000      0.23001      0.43000      0.00000
H      -2.17762     -1.25725      0.00000     -0.23001      0.43000      0.00000
H      -2.17762      1.25725     -0.00000      0.23001      0.43000     -0.00000
10
Model[21]: FrequencyLabel=AG;ForceConstant=3.9268 mDyne/A;ReducedMass=2.5716 AMU;FreqValue=1609.8611;Frequency=1609.8611 cm^-1;Mode=20;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000      0.02000      0.18001     -0.00000
C      -1.23365     -0.71225     -0.00000      0.02000     -0.18001      0.00000
N      -0.00000     -1.42450     -0.00000     -0.00000      0.08000     -0.00000
C       1.23365     -0.71225     -0.00000     -0.02000     -0.18001      0.00000
C       1.23365      0.71225      0.00000     -0.02000      0.18001     -0.00000
N       0.00000      1.42450     -0.00000      0.00000     -0.08000      0.00000
H       2.17762      1.25725      0.00000      0.32000     -0.33001      0.00000
H       2.17762     -1.25725     -0.00000      0.32000      0.33001      0.00000
H      -2.17762     -1.25725      0.00000     -0.32000      0.33001     -0.00000
H      -2.17762      1.25725     -0.00000     -0.32000     -0.33001      0.00000
10
Model[22]: FrequencyLabel=B1G;ForceConstant=6.7779 mDyne/A;ReducedMass=1.0885 AMU;FreqValue=3250.9838;Frequency=3250.9838 cm^-1;Mode=21;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000     -0.04000      0.02000      0.00000
C      -1.23365     -0.71225     -0.00000      0.04000      0.02000      0.00000
N      -0.00000     -1.42450     -0.00000     -0.00000      0.00000      0.00000
C       1.23365     -0.71225     -0.00000      0.04000     -0.02000      0.00000
C       1.23365      0.71225      0.00000     -0.04000     -0.02000     -0.00000
N       0.00000      1.42450     -0.00000      0.00000     -0.00000      0.00000
H       2.17762      1.25725      0.00000      0.43000      0.26000      0.00000
H       2.17762     -1.25725     -0.00000     -0.43000      0.26000     -0.00000
H      -2.17762     -1.25725      0.00000     -0.43000     -0.26000     -0.00000
H      -2.17762      1.25725     -0.00000      0.43000     -0.26000     -0.00000
10
Model[22]: FrequencyLabel=B2U;ForceConstant=6.7946 mDyne/A;ReducedMass=1.0906 AMU;FreqValue=3251.7540;Frequency=3251.7540 cm^-1;Mode=22;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=7.0720 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000      0.04000     -0.02000     -0.00000
C      -1.23365     -0.71225     -0.00000     -0.04000     -0.02000     -0.00000
N      -0.00000     -1.42450     -0.00000      0.00000      0.00000      0.00000
C       1.23365     -0.71225     -0.00000      0.04000     -0.02000      0.00000
C       1.23365      0.71225      0.00000     -0.04000     -0.02000     -0.00000
N       0.00000      1.42450     -0.00000      0.00000      0.00000     -0.00000
H       2.17762      1.25725      0.00000      0.43000      0.26000      0.00000
H       2.17762     -1.25725     -0.00000     -0.43000      0.26000     -0.00000
H      -2.17762     -1.25725      0.00000      0.43000      0.26000      0.00000
H      -2.17762      1.25725     -0.00000     -0.43000      0.26000      0.00000
10
Model[24]: FrequencyLabel=B3U;ForceConstant=6.8967 mDyne/A;ReducedMass=1.0954 AMU;FreqValue=3268.9481;Frequency=3268.9481 cm^-1;Mode=23;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=28.0616 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000     -0.04000      0.03000      0.00000
C      -1.23365     -0.71225     -0.00000     -0.04000     -0.03000     -0.00000
N      -0.00000     -1.42450     -0.00000      0.00000     -0.00000     -0.00000
C       1.23365     -0.71225     -0.00000     -0.04000      0.03000     -0.00000
C       1.23365      0.71225      0.00000     -0.04000     -0.03000     -0.00000
N       0.00000      1.42450     -0.00000      0.00000     -0.00000      0.00000
H       2.17762      1.25725      0.00000      0.42000      0.26000      0.00000
H       2.17762     -1.25725     -0.00000      0.42000     -0.26000      0.00000
H      -2.17762     -1.25725      0.00000      0.42000      0.26000      0.00000
H      -2.17762      1.25725     -0.00000      0.42000     -0.26000     -0.00000
10
Model[25]: FrequencyLabel=AG;ForceConstant=6.9371 mDyne/A;ReducedMass=1.0990 AMU;FreqValue=3273.1294;Frequency=3273.1294 cm^-1;Mode=24;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000      0.04000     -0.03000     -0.00000
C      -1.23365     -0.71225     -0.00000      0.04000      0.03000      0.00000
N      -0.00000     -1.42450     -0.00000     -0.00000     -0.00000      0.00000
C       1.23365     -0.71225     -0.00000     -0.04000      0.03000     -0.00000
C       1.23365      0.71225      0.00000     -0.04000     -0.03000     -0.00000
N       0.00000      1.42450     -0.00000      0.00000      0.00000     -0.00000
H       2.17762      1.25725      0.00000      0.42000      0.26000      0.00000
H       2.17762     -1.25725     -0.00000      0.42000     -0.26000      0.00000
H      -2.17762     -1.25725      0.00000     -0.42000     -0.26000     -0.00000
H      -2.17762      1.25725     -0.00000     -0.42000      0.26000      0.00000
</ModelData>
</Models>
##$PEAKS=
<Peaks type="IR" xUnitsExpected="1/cm"  >
<PeakData id="1" title="24 (3270 cm-1)" peakShape="broad" model="Mi.24" xMax="3280" xMin="3260"    />
<PeakData id="2" title="23 (3250 cm-1)" peakShape="broad" model="Mi.25" xMax="3260" xMin="3240"    />
<PeakData id="3" title="20 (1540 cm-1)" peakShape="broad" model="Mi.20" xMax="1550" xMin="1530"    />
<PeakData id="4" title="18 (1465 cm-1)" peakShape="broad" model="Mi.18" xMax="1480" xMin="1450"    />
<PeakData id="5" title="15 (1125 cm-1)" peakShape="broad" model="Mi.15" xMax="1140" xMin="1110"    />
<PeakData id="6" title="12 (1085 cm-1)" peakShape="broad" model="Mi.12" xMax="1100" xMin="1060"    />
<PeakData id="7" title="10 ( 960 cm-1)" peakShape="broad" model="Mi.10" xMax="975" xMin="945"    />
<PeakData id="8" title="9  ( 930 cm-1)" peakShape="broad" model="Mi.9" xMax="940" xMin="920"    />
<PeakData id="9" title="4  ( 610 cm-1)" peakShape="broad" model="Mi.4" xMax="620" xMin="600"    />
</Peaks>
##XUNITS= 1/CM
##YUNITS= TRANSMITTANCE
##XFACTOR= 1
##YFACTOR= 9.999000E-07
##FIRSTX= 3.471189E+03
##FIRSTY= 1
##LASTX= 1.995753E+02
##NPOINTS= 1687
##MINY= 1.000000E-04
##MAXY= 1
##XYDATA= (X++(Y..Y))
3471.189A000100%T1j800Tj801j800Wj801j800Vj801j800Wj801j800I60496
3385.8088I58696j800Tj801j800Vj801q906k432k570k718k878l051l236I15065
3352.821I11410l892m148m428m732n063n427n823o259o737p264p844H41309
3327.595H32115r980j0852j1823j2903j4110j5455j6959j8643k0523F78243
3306.25F53278k7568l0440l3587l6987m0589m4290m7913n1169n3639B32349
3284.9048A78545n0145m3431l4072k3523j3920o973k962r54K06J410L250A3193
3259.679B1278R052Q628Q454J0705J6628K5919L6759M6528N3181N6104C49090
3236.3933D02530M9810M5658M1426L7366L3605L0189K7127K4399K1982G33932
3215.0483G51879J6270J4783J3463J2288J1241J0305R468Q716Q039P429H70758
3191.763H77137N926N515N139M797M484M197L934L692L469L265L074I27528
3166.5369I30265K586K447K316J801J800WJ801J800WJ801J800VJ801J800I73618
3119.9658I75418J800TJ801J800VJ801J800WJ280%Y33j000l000l001l000I87099
1658.8004I85099j339n48n76o06o38o72p08p48p90q36q84r38r94j057I72642
1627.753I71445j275j361j456j558j671j794j930k079k245k428k631I48160
1602.5271I45052l391l706m062m464m917n434o022j2966k0002Uk0474H06627
1575.3606G92076j6375j8504k0994k3910k7318l1288l5870m1074m6819D77070
1554.0156D18423o3250o5260o3025n5375m2652k7001j0937M575J9896A50022
1532.6705A96732N3904N5566N2702M6986L9917L2525K5376J8730J2648E42183
1511.3256E44177k756p250j1572j5796j9978k4149k8311l2431l6417m0110B82149
1488.04B36649m6370m5342m1951l6031k8014j9118j1079n315k111p14D20
1464.7545E11M94J543M119R181J6888K6152L5207M2565M7504M9999N0434C33933
1439.5286C81142M4470M1425L8293L5211L2266K9508K6955K4617K2487F96929
1418.1835G26630J7142J5696J4393J3217J2157J1199J0333R549Q837Q192H54950
1394.898H62021O583O138N730N357N014M700M410M143L896L669L459I18383
1369.672I21465K914K757K612K477K350K231K121K018J921J829K001I48696
1344.446I50696K000TK001K000VK001K000VK001K000VK001K000UL400A000100
1297.875A000100%S8o001k000p000n001n000n001n000n001l404j412I53799
1239.6613I52244j633j717j807j904k006k117k235k362k500k647k806I25531
1214.4353I22367l367l585l822j2503r001j5001j2012o213o641p110p622H27307
1189.2094H18509r475j0221j1042j1950j2955j4066j5299j6667j8186F78777
1167.8643F57036k3811k6096k8606l1342l4292l7418m0650m3859m6842B94826
1146.5193B44036n0786m8687m4017l6719k7502j7946r940m633j830n39A641
1123.2338B762K926O270J1146J6417K0315K1459J9372J4392P324q21q928I6827
1098.0078G6558k1406j9068j4268q878m476j406J106M359R730J7943K5628A02765
1072.7819A47542M9599N1428N0865M8668M5504M1877L8120L4446L0969E66762
1051.4368E57324J9685J7266J5069J3067J1241R565Q017O580N234L963F69763
1028.1512F71351M58o51j748k846l956n085o249p454q714j0040j1441F26487
1002.9253F10543j7643j9472k1439k3551k5811k8211l0732l3334l5951C35930
981.58026B95205m2478m3405m3105m1148l7192l1198k3683j5810q794C860
960.23517A975o44l4M22Q85J204J015J96q25j407j307q24l83j40l3L6C07
927.2474I02J820M612R511J6241K3755L0816L6518M0471M2689M3425B93773
903.96185C35553M0003L7905L5645L3338L1061K8866K6781K4823K2999F38283
882.6168F58031J8313J6993J5783J4673J3654J2719J1863J1075J0352G93143
861.2718H02218Q511P990P510P066O654O274N921N000N001N000N001H77146
836.04584H82147N000N001N000N001N000N001N000N001N000N001N000I42153
810.8199I47153N001N000N001K942N000%U6n000k001l000k603j434j506I52969
715.73737I51302j756j852j953k063k182k308k445k593k753k925l113I22043
690.5114I18506l777m040m327m639m983n361n775o232o737p296p914H48824
665.28546H39458j0218j1170j2236j3429j4768j6274j7967j9871k2011F77100
643.94037F49998l0098l3406l7019m0894m4932m8960n2684n5660n7267A92340
622.59534A39033m6530l6773k5554j5209p651l239r74M83K351N938J2450D6382
597.3694G9643M3703N1519N5994N7369N6353N3738N0194M6225M2166E75131
576.02435F09654L1115K8021K5236K2746K0524J8548J6791J5228J3838H14301
554.67926H25797J0509R627Q836Q124P486O908O387N916N488N099M746I09346
529.4533I13474L000TL001L000TL001L000UL001L000TL001L000TL001I64479
494.52505I67479L000L001L000TL001L000TO619N000%S41A000100
199.57532A000100  $$checkpoint
##END= $$ end of pyrazine IR
##TITLE= pyrazine C4N2H4 D2h
##JCAMP-DX= 5.01
##DATA TYPE= RAMAN SPECTRUM
##DATA CLASS= XYDATA
##ORIGIN= WebMO
##OWNER= public domain
##LONGDATE= Sat, 23 Feb 2019 15:56:21 -0500 $$ export date from JSpecView
##SPECTROMETER/DATA SYSTEM= computed
##$MODELS=
<Models>
<ModelData id="RP" type="MOL">
pyrazine  C4N2H4
__Jmol-14_02231918003D 1   1.00000     0.00000     0
Jmol version 14.29.31  2019-01-29 15:30 EXTRACT: ({0:9})
 10 10  0  0  0  0            999 V2000
   -1.2337    0.7123    0.0000 C   0  0  0  0  0  0
   -1.2337   -0.7123    0.0000 C   0  0  0  0  0  0
   -0.0000   -1.4245    0.0000 N   0  0  0  0  0  0
    1.2337   -0.7123    0.0000 C   0  0  0  0  0  0
    1.2337    0.7123    0.0000 C   0  0  0  0  0  0
    0.0000    1.4245    0.0000 N   0  0  0  0  0  0
    2.1776    1.2573    0.0000 H   0  0  0  0  0  0
    2.1776   -1.2573    0.0000 H   0  0  0  0  0  0
   -2.1776   -1.2573    0.0000 H   0  0  0  0  0  0
   -2.1776    1.2573    0.0000 H   0  0  0  0  0  0
  1  2  2  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  6  1  1  0  0  0
  1 10  1  0  0  0
  2  9  1  0  0  0
  4  8  1  0  0  0
  5  7  1  0  0  0
M  END
</ModelData>
<ModelData id="MR" type="XYZVIB" baseModel="RP" vibrationScale=".5">
10
Model[1]: PATH=Calculation 1;Standard;Energy=-262.62772;Range=M.O.s;NFock==Conv=0.22D-08;E(RHF)=-262.627707891 A.U.;PATH=Calculation 1;Standard
C      -1.23365      0.71225     -0.00000
C      -1.23365     -0.71225     -0.00000
N      -0.00000     -1.42450     -0.00000
C       1.23365     -0.71225     -0.00000
C       1.23365      0.71225      0.00000
N       0.00000      1.42450     -0.00000
H       2.17762      1.25725      0.00000
H       2.17762     -1.25725     -0.00000
H      -2.17762     -1.25725      0.00000
H      -2.17762      1.25725     -0.00000
10
Model[2]: FrequencyLabel=B3U;ForceConstant=0.3174 mDyne/A;ReducedMass=12.4765 AMU;FreqValue=-207.7883;Frequency=-207.7883 cm^-1;Mode=1;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=39.3446 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000     -0.25000     -0.28000     -0.00000
C      -1.23365     -0.71225     -0.00000     -0.25000      0.28000     -0.00000
N      -0.00000     -1.42450     -0.00000      0.45000     -0.00000      0.00000
C       1.23365     -0.71225     -0.00000     -0.25000     -0.28000     -0.00000
C       1.23365      0.71225      0.00000     -0.25000      0.28000     -0.00000
N       0.00000      1.42450     -0.00000      0.45000     -0.00000      0.00000
H       2.17762      1.25725      0.00000     -0.08000      0.03000      0.00000
H       2.17762     -1.25725     -0.00000     -0.08000     -0.03000     -0.00000
H      -2.17762     -1.25725      0.00000     -0.08000      0.03000      0.00000
H      -2.17762      1.25725     -0.00000     -0.08000     -0.03000     -0.00000
10
Model[3]: FrequencyLabel=AU;ForceConstant=0.3829 mDyne/A;ReducedMass=2.4223 AMU;FreqValue=517.9443;Frequency=517.9443 cm^-1;Mode=2;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000      0.00000     -0.00000      0.18001
C      -1.23365     -0.71225     -0.00000      0.00000      0.00000     -0.18001
N      -0.00000     -1.42450     -0.00000      0.00000     -0.00000      0.00000
C       1.23365     -0.71225     -0.00000     -0.00000      0.00000      0.18001
C       1.23365      0.71225      0.00000     -0.00000      0.00000     -0.18001
N       0.00000      1.42450     -0.00000      0.00000      0.00000      0.00000
H       2.17762      1.25725      0.00000     -0.00000     -0.00000     -0.47000
H       2.17762     -1.25725     -0.00000     -0.00000      0.00000      0.47000
H      -2.17762     -1.25725      0.00000      0.00000      0.00000     -0.47000
H      -2.17762      1.25725     -0.00000      0.00000     -0.00000      0.47000
10
Model[4]: FrequencyLabel=B1U;ForceConstant=1.6051 mDyne/A;ReducedMass=7.3439 AMU;FreqValue=609.0589;Frequency=609.0589 cm^-1;Mode=3;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=28.8126 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000     -0.00000      0.00000     -0.21000
C      -1.23365     -0.71225     -0.00000      0.00000      0.00000     -0.21000
N      -0.00000     -1.42450     -0.00000     -0.00000     -0.00000      0.41000
C       1.23365     -0.71225     -0.00000      0.00000     -0.00000     -0.21000
C       1.23365      0.71225      0.00000     -0.00000     -0.00000     -0.21000
N       0.00000      1.42450     -0.00000     -0.00000      0.00000      0.41000
H       2.17762      1.25725      0.00000     -0.00000     -0.00000     -0.35000
H       2.17762     -1.25725     -0.00000      0.00000     -0.00000     -0.35000
H      -2.17762     -1.25725      0.00000      0.00000      0.00000     -0.35000
H      -2.17762      1.25725     -0.00000     -0.00000      0.00000     -0.35000
10
Model[5]: FrequencyLabel=AG;ForceConstant=2.4960 mDyne/A;ReducedMass=9.7450 AMU;FreqValue=659.3377;Frequency=659.3377 cm^-1;Mode=4;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000     -0.27001     -0.06000      0.00000
C      -1.23365     -0.71225     -0.00000     -0.27001      0.06000     -0.00000
N      -0.00000     -1.42450     -0.00000      0.00000      0.45000     -0.00000
C       1.23365     -0.71225     -0.00000      0.27001      0.06000      0.00000
C       1.23365      0.71225      0.00000      0.27001     -0.06000     -0.00000
N       0.00000      1.42450     -0.00000     -0.00000     -0.45000      0.00000
H       2.17762      1.25725      0.00000      0.10000      0.24000     -0.00000
H       2.17762     -1.25725     -0.00000      0.10000     -0.24000      0.00000
H      -2.17762     -1.25725      0.00000     -0.10000     -0.24000     -0.00000
H      -2.17762      1.25725     -0.00000     -0.10000      0.24000      0.00000
10
Model[6]: FrequencyLabel=B1G;ForceConstant=2.1920 mDyne/A;ReducedMass=7.3024 AMU;FreqValue=713.7850;Frequency=713.7850 cm^-1;Mode=5;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000     -0.21000      0.27001      0.00000
C      -1.23365     -0.71225     -0.00000      0.21000      0.27001      0.00000
N      -0.00000     -1.42450     -0.00000      0.21000     -0.00000     -0.00000
C       1.23365     -0.71225     -0.00000      0.21000     -0.27001      0.00000
C       1.23365      0.71225      0.00000     -0.21000     -0.27001      0.00000
N       0.00000      1.42450     -0.00000     -0.21000      0.00000     -0.00000
H       2.17762      1.25725      0.00000     -0.30001     -0.14000     -0.00000
H       2.17762     -1.25725     -0.00000      0.30001     -0.14000     -0.00000
H      -2.17762     -1.25725      0.00000      0.30001      0.14000     -0.00000
H      -2.17762      1.25725     -0.00000     -0.30001      0.14000     -0.00000
10
Model[7]: FrequencyLabel=B3G;ForceConstant=1.8758 mDyne/A;ReducedMass=4.3101 AMU;FreqValue=859.4510;Frequency=859.4510 cm^-1;Mode=6;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000     -0.00000      0.00000      0.21000
C      -1.23365     -0.71225     -0.00000     -0.00000     -0.00000     -0.21000
N      -0.00000     -1.42450     -0.00000     -0.00000     -0.00000      0.23001
C       1.23365     -0.71225     -0.00000      0.00000     -0.00000     -0.21000
C       1.23365      0.71225      0.00000      0.00000      0.00000      0.21000
N       0.00000      1.42450     -0.00000     -0.00000      0.00000     -0.23001
H       2.17762      1.25725      0.00000      0.00000      0.00000      0.42000
H       2.17762     -1.25725     -0.00000      0.00000     -0.00000     -0.42000
H      -2.17762     -1.25725      0.00000     -0.00000     -0.00000     -0.42000
H      -2.17762      1.25725     -0.00000     -0.00000      0.00000      0.42000
10
Model[8]: FrequencyLabel=AG;ForceConstant=3.4934 mDyne/A;ReducedMass=7.8306 AMU;FreqValue=870.1598;Frequency=870.1598 cm^-1;Mode=7;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000      0.30001     -0.09000      0.00000
C      -1.23365     -0.71225     -0.00000      0.30001      0.09000     -0.00000
N      -0.00000     -1.42450     -0.00000      0.00000      0.31000      0.00000
C       1.23365     -0.71225     -0.00000     -0.30001      0.09000     -0.00000
C       1.23365      0.71225      0.00000     -0.30001     -0.09000      0.00000
N       0.00000      1.42450     -0.00000     -0.00000     -0.31000     -0.00000
H       2.17762      1.25725      0.00000     -0.30001     -0.12000      0.00000
H       2.17762     -1.25725     -0.00000     -0.30001      0.12000     -0.00000
H      -2.17762     -1.25725      0.00000      0.30001      0.12000     -0.00000
H      -2.17762      1.25725     -0.00000      0.30001     -0.12000      0.00000
10
Model[9]: FrequencyLabel=B1U;ForceConstant=0.5785 mDyne/A;ReducedMass=1.1288 AMU;FreqValue=932.6357;Frequency=932.6357 cm^-1;Mode=8;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=42.1408 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000     -0.00000      0.00000     -0.05000
C      -1.23365     -0.71225     -0.00000     -0.00000      0.00000     -0.05000
N      -0.00000     -1.42450     -0.00000      0.00000     -0.00000      0.02000
C       1.23365     -0.71225     -0.00000      0.00000     -0.00000     -0.05000
C       1.23365      0.71225      0.00000     -0.00000     -0.00000     -0.05000
N       0.00000      1.42450     -0.00000     -0.00000     -0.00000      0.02000
H       2.17762      1.25725      0.00000     -0.00000      0.00000      0.50000
H       2.17762     -1.25725     -0.00000      0.00000      0.00000      0.50000
H      -2.17762     -1.25725      0.00000     -0.00000      0.00000      0.50000
H      -2.17762      1.25725     -0.00000      0.00000      0.00000      0.50000
10
Model[10]: FrequencyLabel=B2U;ForceConstant=1.8076 mDyne/A;ReducedMass=3.3429 AMU;FreqValue=958.0074;Frequency=958.0074 cm^-1;Mode=9;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=27.4273 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000     -0.12000     -0.10000     -0.00000
C      -1.23365     -0.71225     -0.00000      0.12000     -0.10000     -0.00000
N      -0.00000     -1.42450     -0.00000      0.00000      0.22000      0.00000
C       1.23365     -0.71225     -0.00000     -0.12000     -0.10000     -0.00000
C       1.23365      0.71225      0.00000      0.12000     -0.10000     -0.00000
N       0.00000      1.42450     -0.00000      0.00000      0.22000     -0.00000
H       2.17762      1.25725      0.00000      0.28000     -0.35000      0.00000
H       2.17762     -1.25725     -0.00000     -0.28000     -0.35000      0.00000
H      -2.17762     -1.25725      0.00000      0.28000     -0.35000      0.00000
H      -2.17762      1.25725     -0.00000     -0.28000     -0.35000      0.00000
10
Model[11]: FrequencyLabel=B2G;ForceConstant=0.8176 mDyne/A;ReducedMass=1.2442 AMU;FreqValue=1056.1017;Frequency=1056.1017 cm^-1;Mode=10;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000     -0.00000      0.00000      0.07000
C      -1.23365     -0.71225     -0.00000      0.00000      0.00000      0.07000
N      -0.00000     -1.42450     -0.00000     -0.00000     -0.00000     -0.00000
C       1.23365     -0.71225     -0.00000     -0.00000      0.00000     -0.07000
C       1.23365      0.71225      0.00000      0.00000      0.00000     -0.07000
N       0.00000      1.42450     -0.00000      0.00000     -0.00000      0.00000
H       2.17762      1.25725      0.00000      0.00000      0.00000      0.49001
H       2.17762     -1.25725     -0.00000     -0.00000     -0.00000      0.49001
H      -2.17762     -1.25725      0.00000      0.00000      0.00000     -0.49001
H      -2.17762      1.25725     -0.00000     -0.00000      0.00000     -0.49001
10
Model[12]: FrequencyLabel=B2U;ForceConstant=4.6411 mDyne/A;ReducedMass=6.6842 AMU;FreqValue=1085.5717;Frequency=1085.5717 cm^-1;Mode=11;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=22.9056 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000      0.28000     -0.13000      0.00000
C      -1.23365     -0.71225     -0.00000     -0.28000     -0.13000      0.00000
N      -0.00000     -1.42450     -0.00000     -0.00000      0.23001     -0.00000
C       1.23365     -0.71225     -0.00000      0.28000     -0.13000     -0.00000
C       1.23365      0.71225      0.00000     -0.28000     -0.13000     -0.00000
N       0.00000      1.42450     -0.00000     -0.00000      0.23001      0.00000
H       2.17762      1.25725      0.00000     -0.35000     -0.05000      0.00000
H       2.17762     -1.25725     -0.00000      0.35000     -0.05000      0.00000
H      -2.17762     -1.25725      0.00000     -0.35000     -0.05000     -0.00000
H      -2.17762      1.25725     -0.00000      0.35000     -0.05000     -0.00000
10
Model[13]: FrequencyLabel=B3G;ForceConstant=0.9259 mDyne/A;ReducedMass=1.2933 AMU;FreqValue=1102.3029;Frequency=1102.3029 cm^-1;Mode=12;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000     -0.00000     -0.00000     -0.08000
C      -1.23365     -0.71225     -0.00000      0.00000      0.00000      0.08000
N      -0.00000     -1.42450     -0.00000     -0.00000     -0.00000     -0.01000
C       1.23365     -0.71225     -0.00000      0.00000     -0.00000      0.08000
C       1.23365      0.71225      0.00000      0.00000      0.00000     -0.08000
N       0.00000      1.42450     -0.00000     -0.00000     -0.00000      0.01000
H       2.17762      1.25725      0.00000     -0.00000      0.00000      0.49001
H       2.17762     -1.25725     -0.00000      0.00000     -0.00000     -0.49001
H      -2.17762     -1.25725      0.00000      0.00000      0.00000     -0.49001
H      -2.17762      1.25725     -0.00000     -0.00000     -0.00000      0.49001
10
Model[14]: FrequencyLabel=AU;ForceConstant=1.1141 mDyne/A;ReducedMass=1.5089 AMU;FreqValue=1119.4454;Frequency=1119.4454 cm^-1;Mode=13;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000     -0.00000      0.00000      0.11000
C      -1.23365     -0.71225     -0.00000     -0.00000     -0.00000     -0.11000
N      -0.00000     -1.42450     -0.00000      0.00000      0.00000      0.00000
C       1.23365     -0.71225     -0.00000     -0.00000      0.00000      0.11000
C       1.23365      0.71225      0.00000     -0.00000     -0.00000     -0.11000
N       0.00000      1.42450     -0.00000      0.00000     -0.00000      0.00000
H       2.17762      1.25725      0.00000      0.00000     -0.00000      0.49001
H       2.17762     -1.25725     -0.00000      0.00000      0.00000     -0.49001
H      -2.17762     -1.25725      0.00000      0.00000     -0.00000      0.49001
H      -2.17762      1.25725     -0.00000      0.00000      0.00000     -0.49001
10
Model[15]: FrequencyLabel=B3U;ForceConstant=1.7195 mDyne/A;ReducedMass=2.3021 AMU;FreqValue=1125.9481;Frequency=1125.9481 cm^-1;Mode=14;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=31.3704 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000     -0.07000      0.14000     -0.00000
C      -1.23365     -0.71225     -0.00000     -0.07000     -0.14000      0.00000
N      -0.00000     -1.42450     -0.00000      0.10000      0.00000      0.00000
C       1.23365     -0.71225     -0.00000     -0.07000      0.14000     -0.00000
C       1.23365      0.71225      0.00000     -0.07000     -0.14000      0.00000
N       0.00000      1.42450     -0.00000      0.10000      0.00000     -0.00000
H       2.17762      1.25725      0.00000      0.11000     -0.46001     -0.00000
H       2.17762     -1.25725     -0.00000      0.11000      0.46001      0.00000
H      -2.17762     -1.25725      0.00000      0.11000     -0.46001     -0.00000
H      -2.17762      1.25725     -0.00000      0.11000      0.46001      0.00000
10
Model[16]: FrequencyLabel=AG;ForceConstant=1.3090 mDyne/A;ReducedMass=1.4420 AMU;FreqValue=1241.2350;Frequency=1241.2350 cm^-1;Mode=15;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000      0.02000      0.10000     -0.00000
C      -1.23365     -0.71225     -0.00000      0.02000     -0.10000      0.00000
N      -0.00000     -1.42450     -0.00000      0.00000      0.01000     -0.00000
C       1.23365     -0.71225     -0.00000     -0.02000     -0.10000      0.00000
C       1.23365      0.71225      0.00000     -0.02000      0.10000     -0.00000
N       0.00000      1.42450     -0.00000     -0.00000     -0.01000      0.00000
H       2.17762      1.25725      0.00000     -0.22000      0.44000     -0.00000
H       2.17762     -1.25725     -0.00000     -0.22000     -0.44000     -0.00000
H      -2.17762     -1.25725      0.00000      0.22000     -0.44000     -0.00000
H      -2.17762      1.25725     -0.00000      0.22000      0.44000      0.00000
10
Model[17]: FrequencyLabel=B1G;ForceConstant=3.9928 mDyne/A;ReducedMass=4.3279 AMU;FreqValue=1251.3391;Frequency=1251.3391 cm^-1;Mode=16;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000      0.17000      0.02000     -0.00000
C      -1.23365     -0.71225     -0.00000     -0.17000      0.02000      0.00000
N      -0.00000     -1.42450     -0.00000      0.28000     -0.00000     -0.00000
C       1.23365     -0.71225     -0.00000     -0.17000     -0.02000      0.00000
C       1.23365      0.71225      0.00000      0.17000     -0.02000     -0.00000
N       0.00000      1.42450     -0.00000     -0.28000      0.00000      0.00000
H       2.17762      1.25725      0.00000      0.32000     -0.28000      0.00000
H       2.17762     -1.25725     -0.00000     -0.32000     -0.28000     -0.00000
H      -2.17762     -1.25725      0.00000     -0.32000      0.28000     -0.00000
H      -2.17762      1.25725     -0.00000      0.32000      0.28000     -0.00000
10
Model[18]: FrequencyLabel=B3U;ForceConstant=1.8881 mDyne/A;ReducedMass=1.4922 AMU;FreqValue=1465.4849;Frequency=1465.4849 cm^-1;Mode=17;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=38.5855 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000     -0.01000      0.09000     -0.00000
C      -1.23365     -0.71225     -0.00000     -0.01000     -0.09000      0.00000
N      -0.00000     -1.42450     -0.00000      0.07000      0.00000      0.00000
C       1.23365     -0.71225     -0.00000     -0.01000      0.09000     -0.00000
C       1.23365      0.71225      0.00000     -0.01000     -0.09000      0.00000
N       0.00000      1.42450     -0.00000      0.07000      0.00000     -0.00000
H       2.17762      1.25725      0.00000     -0.32000      0.37000     -0.00000
H       2.17762     -1.25725     -0.00000     -0.32000     -0.37000     -0.00000
H      -2.17762     -1.25725      0.00000     -0.32000      0.37000     -0.00000
H      -2.17762      1.25725     -0.00000     -0.32000     -0.37000      0.00000
10
Model[19]: FrequencyLabel=B1G;ForceConstant=1.8033 mDyne/A;ReducedMass=1.3748 AMU;FreqValue=1492.0664;Frequency=1492.0664 cm^-1;Mode=18;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000      0.07000      0.05000     -0.00000
C      -1.23365     -0.71225     -0.00000     -0.07000      0.05000      0.00000
N      -0.00000     -1.42450     -0.00000      0.02000     -0.00000     -0.00000
C       1.23365     -0.71225     -0.00000     -0.07000     -0.05000     -0.00000
C       1.23365      0.71225      0.00000      0.07000     -0.05000     -0.00000
N       0.00000      1.42450     -0.00000     -0.02000      0.00000      0.00000
H       2.17762      1.25725      0.00000     -0.22000      0.44000     -0.00000
H       2.17762     -1.25725     -0.00000      0.22000      0.44000      0.00000
H      -2.17762     -1.25725      0.00000      0.22000     -0.44000     -0.00000
H      -2.17762      1.25725     -0.00000     -0.22000     -0.44000      0.00000
10
Model[20]: FrequencyLabel=B2U;ForceConstant=1.9102 mDyne/A;ReducedMass=1.3662 AMU;FreqValue=1540.4934;Frequency=1540.4934 cm^-1;Mode=19;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=11.2707 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000     -0.06000     -0.06000      0.00000
C      -1.23365     -0.71225     -0.00000      0.06000     -0.06000     -0.00000
N      -0.00000     -1.42450     -0.00000      0.00000      0.04000     -0.00000
C       1.23365     -0.71225     -0.00000     -0.06000     -0.06000     -0.00000
C       1.23365      0.71225      0.00000      0.06000     -0.06000     -0.00000
N       0.00000      1.42450     -0.00000      0.00000      0.04000      0.00000
H       2.17762      1.25725      0.00000     -0.23001      0.43000     -0.00000
H       2.17762     -1.25725     -0.00000      0.23001      0.43000      0.00000
H      -2.17762     -1.25725      0.00000     -0.23001      0.43000      0.00000
H      -2.17762      1.25725     -0.00000      0.23001      0.43000     -0.00000
10
Model[21]: FrequencyLabel=AG;ForceConstant=3.9268 mDyne/A;ReducedMass=2.5716 AMU;FreqValue=1609.8611;Frequency=1609.8611 cm^-1;Mode=20;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000      0.02000      0.18001     -0.00000
C      -1.23365     -0.71225     -0.00000      0.02000     -0.18001      0.00000
N      -0.00000     -1.42450     -0.00000     -0.00000      0.08000     -0.00000
C       1.23365     -0.71225     -0.00000     -0.02000     -0.18001      0.00000
C       1.23365      0.71225      0.00000     -0.02000      0.18001     -0.00000
N       0.00000      1.42450     -0.00000      0.00000     -0.08000      0.00000
H       2.17762      1.25725      0.00000      0.32000     -0.33001      0.00000
H       2.17762     -1.25725     -0.00000      0.32000      0.33001      0.00000
H      -2.17762     -1.25725      0.00000     -0.32000      0.33001     -0.00000
H      -2.17762      1.25725     -0.00000     -0.32000     -0.33001      0.00000
10
Model[22]: FrequencyLabel=B1G;ForceConstant=6.7779 mDyne/A;ReducedMass=1.0885 AMU;FreqValue=3250.9838;Frequency=3250.9838 cm^-1;Mode=21;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000     -0.04000      0.02000      0.00000
C      -1.23365     -0.71225     -0.00000      0.04000      0.02000      0.00000
N      -0.00000     -1.42450     -0.00000     -0.00000      0.00000      0.00000
C       1.23365     -0.71225     -0.00000      0.04000     -0.02000      0.00000
C       1.23365      0.71225      0.00000     -0.04000     -0.02000     -0.00000
N       0.00000      1.42450     -0.00000      0.00000     -0.00000      0.00000
H       2.17762      1.25725      0.00000      0.43000      0.26000      0.00000
H       2.17762     -1.25725     -0.00000     -0.43000      0.26000     -0.00000
H      -2.17762     -1.25725      0.00000     -0.43000     -0.26000     -0.00000
H      -2.17762      1.25725     -0.00000      0.43000     -0.26000     -0.00000
10
Model[22]: FrequencyLabel=B2U;ForceConstant=6.7946 mDyne/A;ReducedMass=1.0906 AMU;FreqValue=3251.7540;Frequency=3251.7540 cm^-1;Mode=22;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=7.0720 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000      0.04000     -0.02000     -0.00000
C      -1.23365     -0.71225     -0.00000     -0.04000     -0.02000     -0.00000
N      -0.00000     -1.42450     -0.00000      0.00000      0.00000      0.00000
C       1.23365     -0.71225     -0.00000      0.04000     -0.02000      0.00000
C       1.23365      0.71225      0.00000     -0.04000     -0.02000     -0.00000
N       0.00000      1.42450     -0.00000      0.00000      0.00000     -0.00000
H       2.17762      1.25725      0.00000      0.43000      0.26000      0.00000
H       2.17762     -1.25725     -0.00000     -0.43000      0.26000     -0.00000
H      -2.17762     -1.25725      0.00000      0.43000      0.26000      0.00000
H      -2.17762      1.25725     -0.00000     -0.43000      0.26000      0.00000
10
Model[24]: FrequencyLabel=B3U;ForceConstant=6.8967 mDyne/A;ReducedMass=1.0954 AMU;FreqValue=3268.9481;Frequency=3268.9481 cm^-1;Mode=23;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=28.0616 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000     -0.04000      0.03000      0.00000
C      -1.23365     -0.71225     -0.00000     -0.04000     -0.03000     -0.00000
N      -0.00000     -1.42450     -0.00000      0.00000     -0.00000     -0.00000
C       1.23365     -0.71225     -0.00000     -0.04000      0.03000     -0.00000
C       1.23365      0.71225      0.00000     -0.04000     -0.03000     -0.00000
N       0.00000      1.42450     -0.00000      0.00000     -0.00000      0.00000
H       2.17762      1.25725      0.00000      0.42000      0.26000      0.00000
H       2.17762     -1.25725     -0.00000      0.42000     -0.26000      0.00000
H      -2.17762     -1.25725      0.00000      0.42000      0.26000      0.00000
H      -2.17762      1.25725     -0.00000      0.42000     -0.26000     -0.00000
10
Model[25]: FrequencyLabel=AG;ForceConstant=6.9371 mDyne/A;ReducedMass=1.0990 AMU;FreqValue=3273.1294;Frequency=3273.1294 cm^-1;Mode=24;PATH=Calculation 1;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies
C      -1.23365      0.71225     -0.00000      0.04000     -0.03000     -0.00000
C      -1.23365     -0.71225     -0.00000      0.04000      0.03000      0.00000
N      -0.00000     -1.42450     -0.00000     -0.00000     -0.00000      0.00000
C       1.23365     -0.71225     -0.00000     -0.04000      0.03000     -0.00000
C       1.23365      0.71225      0.00000     -0.04000     -0.03000     -0.00000
N       0.00000      1.42450     -0.00000      0.00000      0.00000     -0.00000
H       2.17762      1.25725      0.00000      0.42000      0.26000      0.00000
H       2.17762     -1.25725     -0.00000      0.42000     -0.26000      0.00000
H      -2.17762     -1.25725      0.00000     -0.42000     -0.26000     -0.00000
H      -2.17762      1.25725     -0.00000     -0.42000      0.26000      0.00000
</ModelData>
</Models>
##$PEAKS=
<Peaks type="RAMAN" xUnitsExpected="1/cm"  >
<PeakData id="1" title="1 (3270 cm-1)" peakShape="broad" model="MR.25" xMax="3280" xMin="3260"    />
<PeakData id="2" title="2 (3250 cm-1)" peakShape="broad" model="MR.22" xMax="3260" xMin="3240"    />
<PeakData id="3" title="3 (1610 cm-1)" peakShape="broad" model="MR.21" xMax="1620" xMin="1600"    />
<PeakData id="4" title="4 (1495 cm-1)" peakShape="broad" model="MR.19" xMax="1505" xMin="1485"    />
<PeakData id="5" title="5 (1250 cm-1)" peakShape="broad" model="MR.17" xMax="1260" xMin="1245"    />
<PeakData id="6" title="6 (1240 cm-1)" peakShape="broad" model="MR.16" xMax="1245" xMin="1230"    />
<PeakData id="7" title="7 (1100 cm-1)" peakShape="broad" model="MR.13" xMax="1110" xMin="1090"    />
<PeakData id="8" title="8 (1055 cm-1)" peakShape="broad" model="MR.11" xMax="1065" xMin="1045"    />
<PeakData id="9" title="9  (870 cm-1)" peakShape="broad" model="MR.8" xMax="880" xMin="865"    />
<PeakData id="1" title="10 (860 cm-1)" peakShape="broad" model="MR.7" xMax="865" xMin="850"    />
<PeakData id="2" title="11 (715 cm-1)" peakShape="broad" model="MR.6" xMax="725" xMin="705"    />
<PeakData id="3" title="12 (660 cm-1)" peakShape="broad" model="MR.5" xMax="670" xMin="650"    />
</Peaks>
##XUNITS= 1/CM
##YUNITS=RAMAN INTENSITY
##XFACTOR= 1
##YFACTOR= 8.916314E-07
##FIRSTX= 3.467308E+03
##FIRSTY= 0
##LASTX= 7.926687E+01
##NPOINTS= 1747
##MINY= 0
##MAXY= 8.916314E-01
##XYDATA= (X++(Y..Y))
3467.308@%U8O565K18K30K41K54K67K82K98L14L33L52L170M88N18N49A4663
3360.5828A5283O61P05P53Q06Q63R25R96J071J156J250J353J469J599C0634
3331.4758C2540K091K300K536K808L118L477L891M375M940N607O397P341H9898
3304.3096I9752J1536J3610J6190J9428K3524K8749L5454M4069N5080D16279
3282.9644E01699J03290J18248J21641J01856N3266j1814o7027r3906G34022
3263.5598F58032n2307k8355q094M381M387j0041l3259n3728o3372o2391B99880
3240.2744B53385l8041l0847k5032k0427j6803j3949j1684r876q418p232F4817
3216.9888E9364m782m215l737l329k979k676k414k186j985j809j654j515B4691
3189.8225B3409j183j095j016r43q77q18p64p14o69o28n90n54n22m93A2078
3158.7751A1639m16l93l73o575j44j36j29j22j16j10j05r9r5r0k736%@
3123.847@%Y18N50J8K0TK1K3TK5K6K8L0L1L3L5L8M0M2M5M9N2N5O0O4A398
1682.0859A472Q1Q8R5J04J13J24J36J50J66J83K03K27K54K85L22L66M17E264
1645.2172E815O40P48Q80J044J248J506J834K253K793L489M380N500O839D7248
1616.1102E6712R660P893L814j945o802r350r674q705p291n898m704l742A6979
1588.9438A4577j948j594j315j094r18p76o60n65m87m21l65l19k79k44C379
1557.8965C191j64j44j24j08r2p6o3m9l6k2qPK2L9N8P9J04J34J68K10C388
1515.2064C714M06N10O41Q10J025J296J619J967K252K300J877Q66m86A6623
1486.0995A4376k325k093j753j419j131r01p20n79m70l85l18k65k23j89A444
1455.0522A305j20j05r1q1p1o4n6n1m5m1l7l4l1k8k5k4k1k0j9j7j6j4B80
1408.4812B67j2j1j0TrTqpqopoTnVmnm2LVJ49RUJ0J1TJ2TJ3J4J5J6J7D24
1330.8628D44K0K2K4K6K7L0L2L4L8M1M4M9N4N9O4P2Q0Q8J00J11J26J42A889
1284.2919B076K14K49K91L42M07M87N88P16Q80J089J353J674K044K415A7506
1253.2445B0203K386J877J422J072N55m04j666k728l212l146k772k305I415
1226.078G919j198r65p63o40n28m40l69l13k67k29j99j72j51j33j17A331
1193.0902A238q2p5o6o1n4m9m5m1Ql2k9k6k4k1j9j7j4j3j0rpmljKMPJ0E81
1134.8765E98K2K8m9M5N5O6Q3l6J32J64K04K51L04L47L55K96J51m2k08B474
1094.1268B175k60k02j46r3m7lL7Q0J26J80K43L21M17N29O49P47P65O24F428
1055.3176F260n59p64p89p10n95m83l85l07k46j99j61j33j09r2p8o6n6D79
1018.449D37l7l2k9k5k3k0j8j7j4Tj2j1TrQ87K2K4K6K8J2M9L7L9M2M5A424
966.0566A475N5N9O3O7P2P8Q3R0R6J04J12J22J31J43J56J27J87K04K23C894
925.30695D165L01L35L72M18M68N30O00O85P85R04J050J226J443J711A7039
894.2596A9507L003L689M572N710P166Q996J1185J3544J5485J5826J2973A27805
869.0336A24823j0848j4964j5485j3959j1776r666p861o367n149m169B1189
845.7481A8415k288j902j596j349j148r86p01p34o41n63m96m39l90l48D522
814.7008D243k52k27k06j86j69j53j39j27j15j05r5q6p7p0o2n6m8m2B059
775.8916B033k0j4pJQJ7K5L4M6N8P1Q7J06p21J79K10K45K92L47M04N09D534
731.26105E307R63J209J514J883K277K602K657K176J027n11j836k530A4122
704.0946A1776j956j570j237r67p52n82m44l32k35j51p2PQ9J80K85M11E011
669.1664E746R21J072J104Q98L93k82q66j170j205j085r12p41n94m77B419
638.119B108k54k11j75j48j26j08r3q1p1o2n6m9m4m0l5l3k9k7k5k2C98
595.42896C79j8j59j1j0rTqpToUnUmVlXklkTo5%T34@
79.26687@  $$checkpoint
##END=$$ End of the RAMAN for pyrazine
##END= $$ end of file