##TITLE= N2F2
##JCAMP-DX=5.01
##DATA TYPE= LINK
##BLOCKS= 4
##TITLE= cis-N2F2(Z)
##JCAMP-DX= 5.01
##DATA TYPE= INFRARED SPECTRUM
##DATA CLASS= XYDATA
##BLOCK ID=1
##ORIGIN= Department of Chemistry, UWI, JAMAICA
##OWNER= public domain
##LONGDATE= 2012/02/18 12:31:56.0440 -0500 $$ export date from JSpecView
##SPECTROMETER/DATA SYSTEM= from WebMO Gaussian simulation
##$MODELS=
<Models>
<ModelData id="cN2F2" type="MOL">
Cis-N2F2
__Jmol-14_02041519213D 1   1.00000     0.00000     0
Jmol version 14.3.12_2015.02.04  2015-02-04 07:47 EXTRACT: ({0:31})
  4  3  0  0  0  0              1 V2000
   0.00000   0.62246   0.66361 N   0  0  0  0  0  0
   0.00000   1.32221  -0.51614 F   0  0  0  0  0  0
   0.00000  -0.62246   0.66361 N   0  0  0  0  0  0
   0.00000  -1.32221  -0.51614 F   0  0  0  0  0  0
  1  3  2  0  0  0
  1  2  1  0  0  0
  3  4  1  0  0  0
M  END
</ModelData>
<ModelData id="C1" type="XYZVIB" baseModel="cN2F2" vibrationScale=".5">
4
Model[1]: PATH=Calculation 1;Input;Convg=0.2973D-08;-V/T=2.0037;Energy=NaN;Range=M.O.s;E(RHF)=-307.564599541 A.U.;PATH=Calculation 1;Input
N       0.00000      0.00000      0.00000
F       0.00000      0.00000      1.37166
N       1.07075      0.00000     -0.63509
F       2.27444      0.00000      0.02263
4
Model[2]: PATH=Calculation 1;Standard;Convg=0.2973D-08;-V/T=2.0037;Energy=-307.5646;Range=M.O.s;E(RHF)=-307.564599541 A.U.;PATH=Calculation 1;Standard
N       0.00000      0.62246      0.66361
F       0.00000      1.32221     -0.51614
N       0.00000     -0.62246      0.66361
F       0.00000     -1.32221     -0.51614
4
Model[3]: IRIntensity=1.6378 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies;ReducedMass=18.6503 AMU;ForceConstant=1.0128 mDyne/A;FreqValue=303.5906;Frequency=303.5906 cm^-1;FrequencyLabel=A1;PATH=Calculation 1;FrequenciesFrequencies
N       0.00000      0.62246      0.66361      0.00000      0.02000     -0.19000
F       0.00000      1.32221     -0.51614      0.00000      0.67000      0.14000
N       0.00000     -0.62246      0.66361      0.00000     -0.02000     -0.19000
F       0.00000     -1.32221     -0.51614      0.00000     -0.67000      0.14000
4
Model[4]: IRIntensity=0.0000 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies;ReducedMass=14.5399 AMU;ForceConstant=4.2412 mDyne/A;FreqValue=703.6226;Frequency=703.6226 cm^-1;FrequencyLabel=A2;PATH=Calculation 1;FrequenciesFrequencies
N       0.00000      0.62246      0.66361      0.67000      0.00000      0.00000
F       0.00000      1.32221     -0.51614     -0.23001      0.00000      0.00000
N       0.00000     -0.62246      0.66361     -0.67000      0.00000      0.00000
F       0.00000     -1.32221     -0.51614      0.23001      0.00000      0.00000
4
Model[5]: IRIntensity=85.7201 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies;ReducedMass=16.2718 AMU;ForceConstant=6.1981 mDyne/A;FreqValue=804.0590;Frequency=804.0590 cm^-1;FrequencyLabel=B2;PATH=Calculation 1;FrequenciesFrequencies
N       0.00000      0.62246      0.66361      0.00000      0.51000      0.12000
F       0.00000      1.32221     -0.51614      0.00000     -0.38000      0.29000
N       0.00000     -0.62246      0.66361      0.00000      0.51000     -0.12000
F       0.00000     -1.32221     -0.51614      0.00000     -0.38000     -0.29000
4
Model[6]: IRIntensity=76.4095 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies;ReducedMass=15.9799 AMU;ForceConstant=9.3236 mDyne/A;FreqValue=995.1294;Frequency=995.1294 cm^-1;FrequencyLabel=A1;PATH=Calculation 1;FrequenciesFrequencies
N       0.00000      0.62246      0.66361      0.00000      0.08000      0.54000
F       0.00000      1.32221     -0.51614      0.00000      0.19000     -0.40000
N       0.00000     -0.62246      0.66361      0.00000     -0.08000      0.54000
F       0.00000     -1.32221     -0.51614      0.00000     -0.19000     -0.40000
4
Model[7]: IRIntensity=144.1223 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies;ReducedMass=14.5082 AMU;ForceConstant=10.9878 mDyne/A;FreqValue=1133.7681;Frequency=1133.7681 cm^-1;FrequencyLabel=B2;PATH=Calculation 1;FrequenciesFrequencies
N       0.00000      0.62246      0.66361      0.00000      0.01000      0.67000
F       0.00000      1.32221     -0.51614      0.00000     -0.01000     -0.22000
N       0.00000     -0.62246      0.66361      0.00000      0.01000     -0.67000
F       0.00000     -1.32221     -0.51614      0.00000     -0.01000      0.22000
4
Model[8]: IRIntensity=21.9232 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies;ReducedMass=14.0257 AMU;ForceConstant=22.0129 mDyne/A;FreqValue=1632.1156;Frequency=1632.1156 cm^-1;FrequencyLabel=A1;PATH=Calculation 1;FrequenciesFrequencies
N       0.00000      0.62246      0.66361      0.00000      0.70000     -0.05000
F       0.00000      1.32221     -0.51614      0.00000     -0.03000      0.04000
N       0.00000     -0.62246      0.66361      0.00000     -0.70000     -0.05000
F       0.00000     -1.32221     -0.51614      0.00000      0.03000      0.04000
</ModelData>
</Models>
##$PEAKS=
<Peaks type="IR" xUnitsExpected="1/cm"  >
<PeakData id="1" title="1- (~1632 cm-1)" peakShape="broad" model="C1.8" xMax="1650" xMin="1610"    />
<PeakData id="2" title="2- (~1134 cm-1)" peakShape="broad" model="C1.7" xMax="1150" xMin="1110"    />
<PeakData id="3" title="3- (~995 cm-1)" peakShape="broad" model="C1.6" xMax="1020" xMin="975"    />
<PeakData id="4" title="4- (~804 cm-1)" peakShape="broad" model="C1.5" xMax="825" xMin="780"    />
<PeakData id="5" title="5- Inactive (~704 cm-1)" peakShape="broad" model="C1.4" xMax="725" xMin="680"    />
<PeakData id="6" title="6- (~304 cm-1)" peakShape="broad" model="C1.3" xMax="325" xMin="285"    />
</Peaks>
##XUNITS= 1/CM
##YUNITS= TRANSMITTANCE
##XFACTOR= 1
##YFACTOR= 9.999000E-07
##FIRSTX= 1.832116E+03
##FIRSTY= 9.873769E-01
##LASTX= 1.035906E+02
##NPOINTS= 2001
##MINY= 10.000000E-05
##MAXY= 1
##XYDATA= (X++(Y..Y))
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103.5906A000100  $$checkpoint
##END= $$ end of cis-N2F2 IR
##TITLE=Raman of cis-N2F2 (Z) $$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/DocManager Library v 5.00
##DATA TYPE=RAMAN SPECTRUM
##DATA CLASS=XYDATA
##BLOCK ID=2
##DATE=19 Feb 2012 10:29:22
##ORIGIN= Department of Chemistry, UWI, Jamaica
##OWNER= public domain
##SPECTROMETER/DATA SYSTEM=from WebMO Gaussian simulation
##$MODELS=
<Models>
<ModelData id="cN2F2" type="MOL">
Cis-N2F2
__Jmol-14_02041519213D 1   1.00000     0.00000     0
Jmol version 14.3.12_2015.02.04  2015-02-04 07:47 EXTRACT: ({0:31})
  4  3  0  0  0  0              1 V2000
   0.00000   0.62246   0.66361 N   0  0  0  0  0  0
   0.00000   1.32221  -0.51614 F   0  0  0  0  0  0
   0.00000  -0.62246   0.66361 N   0  0  0  0  0  0
   0.00000  -1.32221  -0.51614 F   0  0  0  0  0  0
  1  3  2  0  0  0
  1  2  1  0  0  0
  3  4  1  0  0  0
M  END
</ModelData>
<ModelData id="C2" type="XYZVIB" baseModel="cN2F2" vibrationScale=".5">
4
Model[1]: PATH=Calculation 1;Input;Convg=0.2973D-08;-V/T=2.0037;Energy=NaN;Range=M.O.s;E(RHF)=-307.564599541 A.U.;PATH=Calculation 1;Input
N       0.00000      0.00000      0.00000
F       0.00000      0.00000      1.37166
N       1.07075      0.00000     -0.63509
F       2.27444      0.00000      0.02263
4
Model[2]: PATH=Calculation 1;Standard;Convg=0.2973D-08;-V/T=2.0037;Energy=-307.5646;Range=M.O.s;E(RHF)=-307.564599541 A.U.;PATH=Calculation 1;Standard
N       0.00000      0.62246      0.66361
F       0.00000      1.32221     -0.51614
N       0.00000     -0.62246      0.66361
F       0.00000     -1.32221     -0.51614
4
Model[3]: IRIntensity=1.6378 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies;ReducedMass=18.6503 AMU;ForceConstant=1.0128 mDyne/A;FreqValue=303.5906;Frequency=303.5906 cm^-1;FrequencyLabel=A1;PATH=Calculation 1;FrequenciesFrequencies
N       0.00000      0.62246      0.66361      0.00000      0.02000     -0.19000
F       0.00000      1.32221     -0.51614      0.00000      0.67000      0.14000
N       0.00000     -0.62246      0.66361      0.00000     -0.02000     -0.19000
F       0.00000     -1.32221     -0.51614      0.00000     -0.67000      0.14000
4
Model[4]: IRIntensity=0.0000 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies;ReducedMass=14.5399 AMU;ForceConstant=4.2412 mDyne/A;FreqValue=703.6226;Frequency=703.6226 cm^-1;FrequencyLabel=A2;PATH=Calculation 1;FrequenciesFrequencies
N       0.00000      0.62246      0.66361      0.67000      0.00000      0.00000
F       0.00000      1.32221     -0.51614     -0.23001      0.00000      0.00000
N       0.00000     -0.62246      0.66361     -0.67000      0.00000      0.00000
F       0.00000     -1.32221     -0.51614      0.23001      0.00000      0.00000
4
Model[5]: IRIntensity=85.7201 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies;ReducedMass=16.2718 AMU;ForceConstant=6.1981 mDyne/A;FreqValue=804.0590;Frequency=804.0590 cm^-1;FrequencyLabel=B2;PATH=Calculation 1;FrequenciesFrequencies
N       0.00000      0.62246      0.66361      0.00000      0.51000      0.12000
F       0.00000      1.32221     -0.51614      0.00000     -0.38000      0.29000
N       0.00000     -0.62246      0.66361      0.00000      0.51000     -0.12000
F       0.00000     -1.32221     -0.51614      0.00000     -0.38000     -0.29000
4
Model[6]: IRIntensity=76.4095 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies;ReducedMass=15.9799 AMU;ForceConstant=9.3236 mDyne/A;FreqValue=995.1294;Frequency=995.1294 cm^-1;FrequencyLabel=A1;PATH=Calculation 1;FrequenciesFrequencies
N       0.00000      0.62246      0.66361      0.00000      0.08000      0.54000
F       0.00000      1.32221     -0.51614      0.00000      0.19000     -0.40000
N       0.00000     -0.62246      0.66361      0.00000     -0.08000      0.54000
F       0.00000     -1.32221     -0.51614      0.00000     -0.19000     -0.40000
4
Model[7]: IRIntensity=144.1223 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies;ReducedMass=14.5082 AMU;ForceConstant=10.9878 mDyne/A;FreqValue=1133.7681;Frequency=1133.7681 cm^-1;FrequencyLabel=B2;PATH=Calculation 1;FrequenciesFrequencies
N       0.00000      0.62246      0.66361      0.00000      0.01000      0.67000
F       0.00000      1.32221     -0.51614      0.00000     -0.01000     -0.22000
N       0.00000     -0.62246      0.66361      0.00000      0.01000     -0.67000
F       0.00000     -1.32221     -0.51614      0.00000     -0.01000      0.22000
4
Model[8]: IRIntensity=21.9232 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies;ReducedMass=14.0257 AMU;ForceConstant=22.0129 mDyne/A;FreqValue=1632.1156;Frequency=1632.1156 cm^-1;FrequencyLabel=A1;PATH=Calculation 1;FrequenciesFrequencies
N       0.00000      0.62246      0.66361      0.00000      0.70000     -0.05000
F       0.00000      1.32221     -0.51614      0.00000     -0.03000      0.04000
N       0.00000     -0.62246      0.66361      0.00000     -0.70000     -0.05000
F       0.00000     -1.32221     -0.51614      0.00000      0.03000      0.04000
</ModelData>
</Models>
##$PEAKS=
<Peaks type="RAMAN" xUnitsExpected="1/cm"  >
<PeakData id="1" title="1- (~1632 cm-1)" peakShape="broad" model="C2.8" xMax="1650" xMin="1610"    />
<PeakData id="2" title="2- (~1134 cm-1)" peakShape="broad" model="C2.7" xMax="1150" xMin="1110"    />
<PeakData id="3" title="3- (~995 cm-1)" peakShape="broad" model="C2.6" xMax="1020" xMin="975"    />
<PeakData id="4" title="4- (~804 cm-1)" peakShape="broad" model="C2.5" xMax="825" xMin="780"    />
<PeakData id="5" title="5- (~704 cm-1)" peakShape="broad" model="C2.4" xMax="725" xMin="680"    />
<PeakData id="6" title="6- (~304 cm-1)" peakShape="broad" model="C2.3" xMax="325" xMin="285"    />
</Peaks>
##XUNITS= 1/CM
##YUNITS= ABSORBANCE
##XFACTOR= 1
##YFACTOR= 2.019120E-07
##FIRSTX= 1.832116E+03
##FIRSTY= 5.395800E-02
##LASTX= 1.035906E+02
##NPOINTS= 2001
##MINY= 2.621200E-02
##MAXY= 2.021741E-01
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103.5906A298  $$checkpoint
##END=$$ End of the RAMAN for cis-N2F2
##TITLE= trans-N2F2 (E)
##JCAMP-DX= 5.01
##DATA TYPE= INFRARED SPECTRUM
##DATA CLASS= XYDATA
##BLOCK ID=3
##ORIGIN= Department of Chemistry, UWI, JAMAICA
##OWNER= public domain
##LONGDATE= 2012/02/18 12:32:26.0301 -0500 $$ export date from JSpecView
##SPECTROMETER/DATA SYSTEM= from WebMO Gaussian simulation
##$MODELS=
<Models>
<ModelData id="tN2F2" type="MOL">
trans-N2F2
__Jmol-14_02041519463D 1   1.00000     0.00000     0
Jmol version 14.3.12_2015.02.04  2015-02-04 07:47 EXTRACT: ({0:31})
  4  3  0  0  0  0              1 V2000
  -0.32590   0.52950   0.00000 N   0  0  0  0  0  0
   0.32590   1.73473   0.00000 F   0  0  0  0  0  0
   0.32590  -0.52950   0.00000 N   0  0  0  0  0  0
  -0.32590  -1.73473   0.00000 F   0  0  0  0  0  0
  1  3  2  0  0  0
  1  2  1  0  0  0
  4  3  1  0  0  0
M  END
</ModelData>
<ModelData id="T1" type="XYZVIB" baseModel="tN2F2" vibrationScale=".5">
4
Model[1]: PATH=Calculation 1;Input;Convg=0.6094D-08;-V/T=2.0039;Energy=NaN;Range=M.O.s;E(RHF)=-307.543247413 A.U.;PATH=Calculation 1;Input
N       0.00000      0.00000      0.00000
F       0.00000      0.00000      1.37019
N       1.07708      0.00000     -0.62145
F       1.07708      0.00000     -1.99164
4
Model[2]: PATH=Calculation 1;Standard;Convg=0.6094D-08;-V/T=2.0039;Energy=-307.54324;Range=M.O.s;E(RHF)=-307.543247413 A.U.;PATH=Calculation 1;Standard
N      -0.32590      0.52950      0.00000
F       0.32590      1.73473      0.00000
N       0.32590     -0.52950      0.00000
F      -0.32590     -1.73473      0.00000
4
Model[3]: IRIntensity=9.9939 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies;ReducedMass=15.7615 AMU;ForceConstant=1.6707 mDyne/A;FreqValue=424.1532;Frequency=424.1532 cm^-1;FrequencyLabel=BU;PATH=Calculation 1;FrequenciesFrequencies
N      -0.32590      0.52950      0.00000     -0.49001      0.28000      0.00000
F       0.32590      1.73473      0.00000      0.36001     -0.21000      0.00000
N       0.32590     -0.52950      0.00000     -0.49001      0.28000      0.00000
F      -0.32590     -1.73473      0.00000      0.36001     -0.21000      0.00000
4
Model[4]: IRIntensity=3.2135 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies;ReducedMass=15.7615 AMU;ForceConstant=1.8399 mDyne/A;FreqValue=445.1102;Frequency=445.1102 cm^-1;FrequencyLabel=AU;PATH=Calculation 1;FrequenciesFrequencies
N      -0.32590      0.52950      0.00000      0.00000      0.00000      0.57000
F       0.32590      1.73473      0.00000      0.00000      0.00000     -0.42000
N       0.32590     -0.52950      0.00000      0.00000      0.00000      0.57000
F      -0.32590     -1.73473      0.00000      0.00000      0.00000     -0.42000
4
Model[5]: IRIntensity=0.0000 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies;ReducedMass=18.4711 AMU;ForceConstant=3.1524 mDyne/A;FreqValue=538.2069;Frequency=538.2069 cm^-1;FrequencyLabel=AG;PATH=Calculation 1;FrequenciesFrequencies
N      -0.32590      0.52950      0.00000      0.16000      0.17000      0.00000
F       0.32590      1.73473      0.00000      0.07000      0.67000      0.00000
N       0.32590     -0.52950      0.00000     -0.16000     -0.17000      0.00000
F      -0.32590     -1.73473      0.00000     -0.07000     -0.67000      0.00000
4
Model[6]: IRIntensity=283.9405 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies;ReducedMass=15.7615 AMU;ForceConstant=9.4587 mDyne/A;FreqValue=1009.2323;Frequency=1009.2323 cm^-1;FrequencyLabel=BU;PATH=Calculation 1;FrequenciesFrequencies
N      -0.32590      0.52950      0.00000      0.28000      0.49001      0.00000
F       0.32590      1.73473      0.00000     -0.21000     -0.36001      0.00000
N       0.32590     -0.52950      0.00000      0.28000      0.49001      0.00000
F      -0.32590     -1.73473      0.00000     -0.21000     -0.36001      0.00000
4
Model[7]: IRIntensity=0.0000 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies;ReducedMass=14.6176 AMU;ForceConstant=14.0859 mDyne/A;FreqValue=1278.8749;Frequency=1278.8749 cm^-1;FrequencyLabel=AG;PATH=Calculation 1;FrequenciesFrequencies
N      -0.32590      0.52950      0.00000      0.55000      0.36001      0.00000
F       0.32590      1.73473      0.00000     -0.20001     -0.14000      0.00000
N       0.32590     -0.52950      0.00000     -0.55000     -0.36001      0.00000
F      -0.32590     -1.73473      0.00000      0.20001      0.14000      0.00000
4
Model[8]: IRIntensity=0.0000 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies;ReducedMass=14.0175 AMU;ForceConstant=20.8242 mDyne/A;FreqValue=1587.9014;Frequency=1587.9014 cm^-1;FrequencyLabel=AG;PATH=Calculation 1;FrequenciesFrequencies
N      -0.32590      0.52950      0.00000     -0.40000      0.58000      0.00000
F       0.32590      1.73473      0.00000      0.00000     -0.04000      0.00000
N       0.32590     -0.52950      0.00000      0.40000     -0.58000      0.00000
F      -0.32590     -1.73473      0.00000      0.00000      0.04000      0.00000
</ModelData>
</Models>
##$PEAKS=
<Peaks type="IR" xUnitsExpected="1/cm"  >
<PeakData id="1" title="1- Inactive (~1587 cm-1)" peakShape="broad" model="T1.8" xMax="1610" xMin="1560"    />
<PeakData id="2" title="2- Inactive (~1278 cm-1)" peakShape="broad" model="T1.7" xMax="1310" xMin="1250"    />
<PeakData id="3" title="3- (~1009 cm-1)" peakShape="broad" model="T1.6" xMax="1030" xMin="975"    />
<PeakData id="4" title="4- Inactive (~538 cm-1)" peakShape="broad" model="T1.5" xMax="560" xMin="510"    />
<PeakData id="5" title="5- (~445 cm-1)" peakShape="broad" model="T1.4" xMax="470" xMin="420"    />
<PeakData id="6" title="6- (~424 cm-1)" peakShape="broad" model="T1.3" xMax="450" xMin="400"    />
</Peaks>
##XUNITS= 1/CM
##YUNITS= TRANSMITTANCE
##XFACTOR= 1
##YFACTOR= 9.999000E-07
##FIRSTX= 1.787119E+03
##FIRSTY= 1
##LASTX= 2.241532E+02
##NPOINTS= 2000
##MINY= 10.000000E-05
##MAXY= 1
##XYDATA= (X++(Y..Y))
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224.1532I96045  $$checkpoint
##END= $$ end of trans-N2F2 IR
##TITLE=Raman of trans-N2F2 (E) $$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/DocManager Library v 5.00
##DATA TYPE=RAMAN SPECTRUM
##DATA CLASS=XYDATA
##BLOCK ID=4
##DATE=19 Feb 2012 10:30:00
##ORIGIN= Department of Chemistry, UWI, Jamaica
##OWNER= public domain
##SPECTROMETER/DATA SYSTEM=from WebMO Gaussian simulation
##$MODELS=
<Models>
<ModelData id="tN2F2" type="MOL">
trans-N2F2
__Jmol-14_02041519463D 1   1.00000     0.00000     0
Jmol version 14.3.12_2015.02.04  2015-02-04 07:47 EXTRACT: ({0:31})
  4  3  0  0  0  0              1 V2000
  -0.32590   0.52950   0.00000 N   0  0  0  0  0  0
   0.32590   1.73473   0.00000 F   0  0  0  0  0  0
   0.32590  -0.52950   0.00000 N   0  0  0  0  0  0
  -0.32590  -1.73473   0.00000 F   0  0  0  0  0  0
  1  3  2  0  0  0
  1  2  1  0  0  0
  4  3  1  0  0  0
M  END
</ModelData>
<ModelData id="T2" type="XYZVIB" baseModel="tN2F2" vibrationScale=".5">
4
Model[1]: PATH=Calculation 1;Input;Convg=0.6094D-08;-V/T=2.0039;Energy=NaN;Range=M.O.s;E(RHF)=-307.543247413 A.U.;PATH=Calculation 1;Input
N       0.00000      0.00000      0.00000
F       0.00000      0.00000      1.37019
N       1.07708      0.00000     -0.62145
F       1.07708      0.00000     -1.99164
4
Model[2]: PATH=Calculation 1;Standard;Convg=0.6094D-08;-V/T=2.0039;Energy=-307.54324;Range=M.O.s;E(RHF)=-307.543247413 A.U.;PATH=Calculation 1;Standard
N      -0.32590      0.52950      0.00000
F       0.32590      1.73473      0.00000
N       0.32590     -0.52950      0.00000
F      -0.32590     -1.73473      0.00000
4
Model[3]: IRIntensity=9.9939 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies;ReducedMass=15.7615 AMU;ForceConstant=1.6707 mDyne/A;FreqValue=424.1532;Frequency=424.1532 cm^-1;FrequencyLabel=BU;PATH=Calculation 1;FrequenciesFrequencies
N      -0.32590      0.52950      0.00000     -0.49001      0.28000      0.00000
F       0.32590      1.73473      0.00000      0.36001     -0.21000      0.00000
N       0.32590     -0.52950      0.00000     -0.49001      0.28000      0.00000
F      -0.32590     -1.73473      0.00000      0.36001     -0.21000      0.00000
4
Model[4]: IRIntensity=3.2135 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies;ReducedMass=15.7615 AMU;ForceConstant=1.8399 mDyne/A;FreqValue=445.1102;Frequency=445.1102 cm^-1;FrequencyLabel=AU;PATH=Calculation 1;FrequenciesFrequencies
N      -0.32590      0.52950      0.00000      0.00000      0.00000      0.57000
F       0.32590      1.73473      0.00000      0.00000      0.00000     -0.42000
N       0.32590     -0.52950      0.00000      0.00000      0.00000      0.57000
F      -0.32590     -1.73473      0.00000      0.00000      0.00000     -0.42000
4
Model[5]: IRIntensity=0.0000 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies;ReducedMass=18.4711 AMU;ForceConstant=3.1524 mDyne/A;FreqValue=538.2069;Frequency=538.2069 cm^-1;FrequencyLabel=AG;PATH=Calculation 1;FrequenciesFrequencies
N      -0.32590      0.52950      0.00000      0.16000      0.17000      0.00000
F       0.32590      1.73473      0.00000      0.07000      0.67000      0.00000
N       0.32590     -0.52950      0.00000     -0.16000     -0.17000      0.00000
F      -0.32590     -1.73473      0.00000     -0.07000     -0.67000      0.00000
4
Model[6]: IRIntensity=283.9405 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies;ReducedMass=15.7615 AMU;ForceConstant=9.4587 mDyne/A;FreqValue=1009.2323;Frequency=1009.2323 cm^-1;FrequencyLabel=BU;PATH=Calculation 1;FrequenciesFrequencies
N      -0.32590      0.52950      0.00000      0.28000      0.49001      0.00000
F       0.32590      1.73473      0.00000     -0.21000     -0.36001      0.00000
N       0.32590     -0.52950      0.00000      0.28000      0.49001      0.00000
F      -0.32590     -1.73473      0.00000     -0.21000     -0.36001      0.00000
4
Model[7]: IRIntensity=0.0000 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies;ReducedMass=14.6176 AMU;ForceConstant=14.0859 mDyne/A;FreqValue=1278.8749;Frequency=1278.8749 cm^-1;FrequencyLabel=AG;PATH=Calculation 1;FrequenciesFrequencies
N      -0.32590      0.52950      0.00000      0.55000      0.36001      0.00000
F       0.32590      1.73473      0.00000     -0.20001     -0.14000      0.00000
N       0.32590     -0.52950      0.00000     -0.55000     -0.36001      0.00000
F      -0.32590     -1.73473      0.00000      0.20001      0.14000      0.00000
4
Model[8]: IRIntensity=0.0000 KM/Mole;PATH=Calculation 1;FrequenciesFrequencies;ReducedMass=14.0175 AMU;ForceConstant=20.8242 mDyne/A;FreqValue=1587.9014;Frequency=1587.9014 cm^-1;FrequencyLabel=AG;PATH=Calculation 1;FrequenciesFrequencies
N      -0.32590      0.52950      0.00000     -0.40000      0.58000      0.00000
F       0.32590      1.73473      0.00000      0.00000     -0.04000      0.00000
N       0.32590     -0.52950      0.00000      0.40000     -0.58000      0.00000
F      -0.32590     -1.73473      0.00000      0.00000      0.04000      0.00000
</ModelData>
</Models>
##$PEAKS=
<Peaks type="RAMAN" xUnitsExpected="1/cm"  >
<PeakData id="1" title="1- (~1587 cm-1)" peakShape="broad" model="T2.8" xMax="1610" xMin="1560"    />
<PeakData id="2" title="2- (~1278 cm-1)" peakShape="broad" model="T2.7" xMax="1310" xMin="1250"    />
<PeakData id="3" title="3- Inactive (~1009 cm-1)" peakShape="broad" model="T2.6" xMax="1030" xMin="975"    />
<PeakData id="4" title="4- (~538 cm-1)" peakShape="broad" model="T2.5" xMax="560" xMin="510"    />
<PeakData id="5" title="5- Inactive (~445 cm-1)" peakShape="broad" model="T2.4" xMax="470" xMin="420"    />
<PeakData id="6" title="6- Inactive (~424 cm-1)" peakShape="broad" model="T2.3" xMax="450" xMin="400"    />
</Peaks>
##XUNITS= 1/CM
##YUNITS= ABSORBANCE
##XFACTOR= 1
##YFACTOR= 2.570232E-07
##FIRSTX= 1.787119E+03
##FIRSTY= 1.373650E-03
##LASTX= 2.241532E+02
##NPOINTS= 2000
##MINY= 7.316400E-02
##MAXY= 2.577548E-101
##XYDATA= (X++(Y..Y))
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1576.7954D07390j3528j3456j3307j3095j2828j2517j2174j1805j1417B82245
1568.1948B71633j0204r798r396r002q617q243p880p530p193o869o559A74080
1558.0304A68102n707n450n203m969m746m534m334m141l960l787l623A14181
1547.8661A10862l177l045k916k796k681k572k468k368k274k185k099H0264
1537.7017G8324j866j795j728j663j602j543j487j434j382j333j286j241E8766
1526.7555E7610j117j080j042j008r74r42r11q82q52q26p99p73p49p25D4228
1514.2455D3547o59o39o20o00n82n64n47n31n15m99m84m70m56m42m29C5094
1500.9536C4690l92l81l69l58l47l38l27l17l08k99k90k81k72k64k56B9642
1487.6617B9402k34k25k19k12k05j98j92j85j80j73j67j62j55j50j45B6461
1474.3699B6327j29j24j19j13j09j05r9r5r0q6q2p7p3o9o4o1n6n2m8m5B4591
1457.1687B4555l3k9k5k1j8j4j0olJMQJ2J5J8K3K6K9L3L7M0M4M7N1N5B4897
1436.0581B4959O5O9P3P6Q1Q4Q7R2R5R9J04J07J11J15J19J23J27J32J35B6993
1419.6387B7138J49J53J57J63J67J71J77J81J86J92J96K02K06K13K17C0092
1406.3468C0320K35K41K46K53K59K65K72K78K85K92K99L07L13L22L29C4852
1393.0549C5197L53L62L70L79L88L98M07M17M27M37M48M58M70M81M93D1990
1379.7631D2507N30N43N56N71N84O00O14O30O46O62O80O97P14P34P53E2793
1366.4713E3586Q14Q36Q59Q81R06R31R56R83J010J039J068J098J131J163F8458
1353.9613F9690J268J307J345J387J429J472J519J566J615J666J720J776H9594
1343.015I1487J957K022K090K161K236K313K394K479K566K660K755K857A22939
1332.0688A26011L188L310L436L570L709L856M009M171M340M517M705A73723
1321.9044A78831N325N553N793O046O312O592O887P197P524P867Q229B60766
1311.7401B69776R430R874J0338J0826J1338J1874J2435J3021J3631J4268D01739
1302.3575D17350J6317J7041J7782J8537J9299K0063K0822K1567K2288F14038
1293.757F37643K4173K4656K5035K5288K5393K5326K5066K4587K3869H83932
1285.1564I05586K0134J8336J6270J3948J1399Q655N759K760k91l335I92902
1275.7739I83710j1902j4412j6689j8708k0454k1924k3116k4042k4713G82598
1267.1732G57223k5408k5275k4997k4597k4098k3517k2873k2181k1455E22115
1258.5726E02168j9182j8421j7669j6931j6209j5508j4829j4172j3542C42770
1249.972C30416j1798j1266j0759j0275r815r377q959q562q186p827B26105
1240.5895B18941o856o564o288o023n774n535n309n095m889m695m511A53068
1230.4252A48902m006l855l709l571l439l313l193l079k969k865k765A09469
1220.2607A06892k491k406k327k250k176k106k038j974j911j852j794H1827
1210.0964H0141j636j587j540j495j452j409j370j330j293j257j223j189F2203
1199.1501F1078j096j066j038j012r85r60r35r12q89q67q46q25q04p86D5964
1186.6403D5221p26p08o92o76o61o45o31o17o02n90n76n64n51n40n28C5398
1173.3484C4892m95m85m75m65m55m46m38m28m20m11m04l95l88l80l73B8068
1160.0565B7709l52l45l39l33l27l20l15l09l04k98k93k87k83k77k73B2786
1146.7646B2522k59k54k50k46k42k38k34k30k26k23k19k15k12k09k05A8858
1133.4728A8659j96j93j90j86j84j82j78j76j73j70j68j66j63j60j59A5859
1120.1809A5706j52j49j47j46j43j41j39j37j35j34j31j30j28j26j25A3521
1106.889A3399j19j18j17j15j13j12j10Tj07j06j05j04j02j01j00r8A1564
1092.8153A1468r4Tr3r1r0Tq8q7q6q5q4q3q2q1q0p9p8Tp6Tp4Tp3p2Tp0I268
1070.9229I199o8To7o6o5To4o3o2To1To0n9Tn8n7Tn6Tn5n4Tn3Un1n2n0G440
1046.6847G390m9Tm8Tm7Um6m5Um4Tm3Tm2m3m1m2m1m0Ul9m0l8l9l8l7l8F065
1021.6648F029l7l5l6l5l6l4l5l4Tl3Vl2Vl1Ul0Vk9Wk8Uk7Tk8k6k7Tk6D797
989.608D771k5k6k5Uk4Tk5k4Tk3k4k3Vk2k3k2Uk1k2k1k2k1Tk0k1k0D064
964.58795D044k0Tj9k0j9Tk0j9j8j9Tj8Tj9j8Tj7j8Tj7Yj6j7j6j7j6UK041E488
936.4405E480pWopoWnonVmnmXlmlVklkTljkTjkjW%j%VJ%J%JUKJKJKULE315
881.7093E318KLTMk483J3UJ4J3J4J3J4XJ5J4J5J4J5WJ6J5TJ6YJ7J6J7C382
848.8706C399J7TJ8J7J8TJ7J9J8UJ9XK0J9K0VK1K0K1UK2K1K2K1K2K3D084
820.72314D106K3VK4K3K4TK5K4K5VK6K5K6K7K6K7VK8VK9VL0UL1L0L1L2E153
789.4482E185L2L3VL4TL5L4L5L6L5L7L6L7UL8TL9TM0L9M0M1UM2M3M2F342
764.4282F386M4TM5M6UM7TM8TM9N0M9N1UN3N2N4N3N5TN6TN7TN9N8O0G933
740.1901G994O2TO3O4O5TO6O7TO9TP0P1P2P3TP5TP7TP8P9Q1TQ2Q3Q5A0030
717.51575A0117Q7Q9R0R1R3TR5R6R8TJ00J02TJ05TJ07J09J10J11J14TJ17A2461
698.7508A2581J21J23J25J27J29J31J32J35J36J39J41J43J45J47J49A4756
685.4589A4910J57J59J62J64J67J69J72J75J78J81J84J87J90J93J96A7744
672.16705A7947K07K10K14K17K21K26K29K33K38K42K46K50K56K60K65B1730
658.8752B2005K80K85K91K97L02L08L14L20L27L33L40L47L54L61L69B7209
645.5833B7593L92M01M09M18M27M36M46M56M66M76M87M98N10N21N34C5016
632.2915C5575N72N85O00O15O29O45O61O78O95P12P31P50P69P89Q10D6648
618.99963D7503Q77R02R26R52R79J007J035J065J096J129J161J196J233F2330
607.2715F3639J349J391J434J481J527J578J628J683J738J797J858J922H5012
596.32526H7070K129K206K285K367K455K545K641K740K844K954L068L189A21809
585.379A25257L587L733L888M048M219M397M585M783M990N210N440A79819
575.21466A85756O206O489O787P099P429P776Q140Q522Q923R345R786B82505
565.0503B93235J1232J1756J2299J2861J3442J4039J4648J5269J5896D31202
556.4497D48352J7763J8356J8920J9441J9907K0305K0617K0825K0911F46254
547.84906F66896K0248J9657J8856J7833J6582J5103J3401J1490R392H16592
539.2485H21341K281k30k736n192p557r788j1854j3728j5390j6827j8037G03264
529.0841F83484k0334k0694k0878k0906k0795k0567k0239j9827j9349D81076
520.48346D62826j7652j7037j6410j5781j5155j4536j3929j3334j2758C14036
511.88287C02377j1139j0640j0161r704r266q849q451q072p711p368p041A97244
501.7185A90808o156n890n637n396n169m952m746m550m364m186m019A31884
491.55414A28178l561l423l292l167l047k934k825k721k623k528k438I3266
481.38977I0996k191k116k045j975j910j846j786j728j673j619j568j519F7548
470.44354F6121j383j341j302j262j226j190j155j122j091j059j030j002E0984
459.4973E0037r22q97q73q50q28q06p86p66p46p27p09o92o75o58o42C7833
446.20544C7222n98n83n70n56n44n31n19n07m97m85m74m64m54m44m35B9136
432.91357B8720m08l99l91l82l75l67l60l53l45l39l32l26l19l13l07B3103
419.62173B2808k90k84k79k74k69k64k59k55k49k46k41k37k32k29k24A8755
406.32986A8538k13k09k06k03j99j96j92j90j86j83j80j78j74j72j69A5522
393.038A5358j61j59j56j54j51j49j47j45j42j40j39j36j34j32j31A3054
379.74615A2928j25j23j21j20j18j16j14j13j11j10j08j07j06j03Tj01A1029
365.67242A0931r7r6r5r3r2r1r0q9q7Tq5q4q3q2q1q0p9p8p7Tp5p4Tp2H841
345.3437H770p0o9o8o7To6o5To3To2To1o0n9Tn8Tn6n7n5Tn4Tn3Tn2n1G037
321.88745F986n0m9Tm8Tm7Tm6Tm5Tm4Um3m2Um1Um0Tl9Ul8Tl7Ul6Ul5Ul4E377
290.6125E343l3Ul2l3l1l2l1Ul0l1l0k9Tl0k8k9k8Vk7Vk6Vk5k6k5Tk4D313
261.68317D289k4Uk3Wk2k3k2Tk1k2k1k2k1Tk0k1k0Tk1j9k0Tj9k0j9Uj8C591
235.09944C573j9j8Uj7j8j7j8j7VC345
224.1532C329  $$checkpoint
##END= $$ end of trans-N2F2 Raman data
##END= $$ end of file