##TITLE= tetrachloroethene
##JCAMP-DX=5.01
##DATA TYPE= LINK
##BLOCKS= 2
##TITLE= C2Cl4
##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">
C2Cl4
__Jmol-14_02281919183D 1   1.00000     0.00000     0
Jmol version 14.29.31  2019-01-29 15:30 EXTRACT: ({0:5})
  6  5  0  0  0  0            999 V2000
   -0.0000    0.0000    0.6610 C   0  0  0  0  0  0
    0.0000   -0.0000   -0.6610 C   0  0  0  0  0  0
    0.0000    1.4435   -1.5915 Cl  0  0  0  0  0  0
   -0.0000   -1.4435   -1.5915 Cl  0  0  0  0  0  0
   -0.0000   -1.4435    1.5915 Cl  0  0  0  0  0  0
   -0.0000    1.4435    1.5915 Cl  0  0  0  0  0  0
  1  6  1  0  0  0
  1  5  1  0  0  0
  1  2  2  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
M  END
</ModelData>
<ModelData id="Mi" type="XYZVIB" baseModel="IRP" vibrationScale=".5">
6
Model[1]: PATH=Calculation 2;Standard;Energy=-1913.6038;Range=M.O.s;NFock==Conv=0.89D-09;E(RHF)=-1913.60370036 A.U.;PATH=Calculation 2;Standard
C      -0.00000      0.00000      0.66095
C       0.00000     -0.00000     -0.66095
Cl      0.00000      1.44353     -1.59145
Cl     -0.00000     -1.44353     -1.59145
Cl     -0.00000     -1.44353      1.59145
Cl     -0.00000      1.44353      1.59145
6
Model[2]: FrequencyLabel=AU;ForceConstant=0.2496 mDyne/A;ReducedMass=34.9689 AMU;FreqValue=110.0584;Frequency=110.0584 cm^-1;Mode=1;PATH=Calculation 2;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 2;FrequenciesFrequencies
C      -0.00000      0.00000      0.66095      0.00000      0.00000      0.00000
C       0.00000     -0.00000     -0.66095     -0.00000      0.00000      0.00000
Cl      0.00000      1.44353     -1.59145      0.50000     -0.00000     -0.00000
Cl     -0.00000     -1.44353     -1.59145     -0.50000     -0.00000     -0.00000
Cl     -0.00000     -1.44353      1.59145      0.50000      0.00000     -0.00000
Cl     -0.00000      1.44353      1.59145     -0.50000      0.00000      0.00000
6
Model[3]: FrequencyLabel=B2U;ForceConstant=0.7369 mDyne/A;ReducedMass=31.8894 AMU;FreqValue=198.0353;Frequency=198.0353 cm^-1;Mode=2;PATH=Calculation 2;FrequenciesFrequencies;IRIntensity=1.1375 KM/Mole;PATH=Calculation 2;FrequenciesFrequencies
C      -0.00000      0.00000      0.66095     -0.00000     -0.26000     -0.00000
C       0.00000     -0.00000     -0.66095      0.00000     -0.26000      0.00000
Cl      0.00000      1.44353     -1.59145      0.00000      0.04000      0.46001
Cl     -0.00000     -1.44353     -1.59145     -0.00000      0.04000     -0.46001
Cl     -0.00000     -1.44353      1.59145      0.00000      0.04000      0.46001
Cl     -0.00000      1.44353      1.59145     -0.00000      0.04000     -0.46001
6
Model[4]: FrequencyLabel=AG;ForceConstant=1.4234 mDyne/A;ReducedMass=34.9431 AMU;FreqValue=262.9360;Frequency=262.9360 cm^-1;Mode=3;PATH=Calculation 2;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 2;FrequenciesFrequencies
C      -0.00000      0.00000      0.66095     -0.00000      0.00000     -0.02000
C       0.00000     -0.00000     -0.66095     -0.00000      0.00000      0.02000
Cl      0.00000      1.44353     -1.59145      0.00000      0.23001      0.44000
Cl     -0.00000     -1.44353     -1.59145     -0.00000     -0.23001      0.44000
Cl     -0.00000     -1.44353      1.59145      0.00000     -0.23001     -0.44000
Cl     -0.00000      1.44353      1.59145     -0.00000      0.23001     -0.44000
6
Model[5]: FrequencyLabel=B3U;ForceConstant=0.8773 mDyne/A;ReducedMass=13.2772 AMU;FreqValue=334.8769;Frequency=334.8769 cm^-1;Mode=4;PATH=Calculation 2;FrequenciesFrequencies;IRIntensity=0.0235 KM/Mole;PATH=Calculation 2;FrequenciesFrequencies
C      -0.00000      0.00000      0.66095      0.69000      0.00000      0.00000
C       0.00000     -0.00000     -0.66095      0.69000      0.00000      0.00000
Cl      0.00000      1.44353     -1.59145     -0.12000     -0.00000     -0.00000
Cl     -0.00000     -1.44353     -1.59145     -0.12000      0.00000     -0.00000
Cl     -0.00000     -1.44353      1.59145     -0.12000     -0.00000     -0.00000
Cl     -0.00000      1.44353      1.59145     -0.12000      0.00000      0.00000
6
Model[6]: FrequencyLabel=B1U;ForceConstant=1.9955 mDyne/A;ReducedMass=28.5124 AMU;FreqValue=344.6574;Frequency=344.6574 cm^-1;Mode=5;PATH=Calculation 2;FrequenciesFrequencies;IRIntensity=0.0214 KM/Mole;PATH=Calculation 2;FrequenciesFrequencies
C      -0.00000      0.00000      0.66095      0.00000     -0.00000     -0.37000
C       0.00000     -0.00000     -0.66095      0.00000      0.00000     -0.37000
Cl      0.00000      1.44353     -1.59145     -0.00000      0.42000      0.06000
Cl     -0.00000     -1.44353     -1.59145     -0.00000     -0.42000      0.06000
Cl     -0.00000     -1.44353      1.59145     -0.00000      0.42000      0.06000
Cl     -0.00000      1.44353      1.59145     -0.00000     -0.42000      0.06000
6
Model[7]: FrequencyLabel=B3G;ForceConstant=2.6890 mDyne/A;ReducedMass=31.7751 AMU;FreqValue=378.9908;Frequency=378.9908 cm^-1;Mode=6;PATH=Calculation 2;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 2;FrequenciesFrequencies
C      -0.00000      0.00000      0.66095     -0.00000      0.26000     -0.00000
C       0.00000     -0.00000     -0.66095     -0.00000     -0.26000     -0.00000
Cl      0.00000      1.44353     -1.59145      0.00000     -0.30001      0.35000
Cl     -0.00000     -1.44353     -1.59145      0.00000     -0.30001     -0.35000
Cl     -0.00000     -1.44353      1.59145      0.00000      0.30001     -0.35000
Cl     -0.00000      1.44353      1.59145      0.00000      0.30001      0.35000
6
Model[8]: FrequencyLabel=AG;ForceConstant=4.8639 mDyne/A;ReducedMass=34.6547 AMU;FreqValue=488.0722;Frequency=488.0722 cm^-1;Mode=7;PATH=Calculation 2;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 2;FrequenciesFrequencies
C      -0.00000      0.00000      0.66095     -0.00000     -0.00000      0.08000
C       0.00000     -0.00000     -0.66095     -0.00000     -0.00000     -0.08000
Cl      0.00000      1.44353     -1.59145      0.00000      0.44000     -0.23001
Cl     -0.00000     -1.44353     -1.59145      0.00000     -0.44000     -0.23001
Cl     -0.00000     -1.44353      1.59145      0.00000     -0.44000      0.23001
Cl     -0.00000      1.44353      1.59145      0.00000      0.44000      0.23001
6
Model[9]: FrequencyLabel=B2G;ForceConstant=2.9806 mDyne/A;ReducedMass=12.2309 AMU;FreqValue=643.1261;Frequency=643.1261 cm^-1;Mode=8;PATH=Calculation 2;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 2;FrequenciesFrequencies
C      -0.00000      0.00000      0.66095      0.70000     -0.00000     -0.00000
C       0.00000     -0.00000     -0.66095     -0.70000     -0.00000     -0.00000
Cl      0.00000      1.44353     -1.59145      0.05000     -0.00000      0.00000
Cl     -0.00000     -1.44353     -1.59145      0.05000      0.00000      0.00000
Cl     -0.00000     -1.44353      1.59145     -0.05000     -0.00000      0.00000
Cl     -0.00000      1.44353      1.59145     -0.05000      0.00000      0.00000
6
Model[10]: FrequencyLabel=B1U;ForceConstant=6.1903 mDyne/A;ReducedMass=14.5261 AMU;FreqValue=850.4668;Frequency=850.4668 cm^-1;Mode=9;PATH=Calculation 2;FrequenciesFrequencies;IRIntensity=81.4290 KM/Mole;PATH=Calculation 2;FrequenciesFrequencies
C      -0.00000      0.00000      0.66095      0.00000      0.00000      0.67000
C       0.00000     -0.00000     -0.66095     -0.00000     -0.00000      0.67000
Cl      0.00000      1.44353     -1.59145      0.00000      0.12000     -0.11000
Cl     -0.00000     -1.44353     -1.59145      0.00000     -0.12000     -0.11000
Cl     -0.00000     -1.44353      1.59145     -0.00000      0.12000     -0.11000
Cl     -0.00000      1.44353      1.59145     -0.00000     -0.12000     -0.11000
6
Model[11]: FrequencyLabel=B2U;ForceConstant=8.1178 mDyne/A;ReducedMass=13.7825 AMU;FreqValue=999.8384;Frequency=999.8384 cm^-1;Mode=10;PATH=Calculation 2;FrequenciesFrequencies;IRIntensity=174.7927 KM/Mole;PATH=Calculation 2;FrequenciesFrequencies
C      -0.00000      0.00000      0.66095      0.00000      0.68000     -0.00000
C       0.00000     -0.00000     -0.66095     -0.00000      0.68000      0.00000
Cl      0.00000      1.44353     -1.59145      0.00000     -0.12000      0.08000
Cl     -0.00000     -1.44353     -1.59145      0.00000     -0.12000     -0.08000
Cl     -0.00000     -1.44353      1.59145      0.00000     -0.12000      0.08000
Cl     -0.00000      1.44353      1.59145     -0.00000     -0.12000     -0.08000
6
Model[12]: FrequencyLabel=B3G;ForceConstant=9.2383 mDyne/A;ReducedMass=12.5653 AMU;FreqValue=1117.0823;Frequency=1117.0823 cm^-1;Mode=11;PATH=Calculation 2;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 2;FrequenciesFrequencies
C      -0.00000      0.00000      0.66095     -0.00000      0.70000     -0.00000
C       0.00000     -0.00000     -0.66095      0.00000     -0.70000     -0.00000
Cl      0.00000      1.44353     -1.59145     -0.00000      0.07000     -0.03000
Cl     -0.00000     -1.44353     -1.59145     -0.00000      0.07000      0.03000
Cl     -0.00000     -1.44353      1.59145      0.00000     -0.07000      0.03000
Cl     -0.00000      1.44353      1.59145     -0.00000     -0.07000     -0.03000
6
Model[13]: FrequencyLabel=AG;ForceConstant=23.6149 mDyne/A;ReducedMass=12.0405 AMU;FreqValue=1824.5088;Frequency=1824.5088 cm^-1;Mode=12;PATH=Calculation 2;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 2;FrequenciesFrequencies
C      -0.00000      0.00000      0.66095      0.00000      0.00000      0.71000
C       0.00000     -0.00000     -0.66095      0.00000      0.00000     -0.71000
Cl      0.00000      1.44353     -1.59145     -0.00000     -0.02000      0.01000
Cl     -0.00000     -1.44353     -1.59145     -0.00000      0.02000      0.01000
Cl     -0.00000     -1.44353      1.59145     -0.00000      0.02000     -0.01000
Cl     -0.00000      1.44353      1.59145     -0.00000     -0.02000     -0.01000
</ModelData>
</Models>
##$PEAKS=
<Peaks type="IR" xUnitsExpected="1/cm"  >
<PeakData id="1" title="1 (1000 cm-1)" peakShape="broad" model="Mi.11" xMax="1020" xMin="980"    />
<PeakData id="2" title="2 (850 cm-1)" peakShape="broad" model="Mi.10" xMax="870" xMin="830"    />
<PeakData id="3" title="3 (200 cm-1)" peakShape="broad" model="Mi.3" xMax="220" xMin="180"    />
</Peaks>
##XUNITS= 1/CM
##YUNITS= TRANSMITTANCE
##XFACTOR= 1
##YFACTOR= 9.999000E-07
##FIRSTX= 2.024509E+03
##FIRSTY= 1
##LASTX= 1.003589E+02
##NPOINTS= 1821
##MINY= 1.000000E-04
##MAXY= 1
##XYDATA= (X++(Y..Y))
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100.35893A000100  $$checkpoint
##END= $$ end of IR
##TITLE= C2Cl4
##JCAMP-DX= 5.01
##DATA TYPE= RAMAN SPECTRUM
##DATA CLASS= XYDATA
##ORIGIN= WebMO
##OWNER= public domain
##LONGDATE= Sat, 23 Feb 2019 15:56:21 -0500 $$ export date from JSpecView
##SPECTROMETER/DATA SYSTEM= computed
##$MODELS=
<Models>
<ModelData id="RP" type="MOL">
C2Cl4
__Jmol-14_02281919183D 1   1.00000     0.00000     0
Jmol version 14.29.31  2019-01-29 15:30 EXTRACT: ({0:5})
  6  5  0  0  0  0            999 V2000
   -0.0000    0.0000    0.6610 C   0  0  0  0  0  0
    0.0000   -0.0000   -0.6610 C   0  0  0  0  0  0
    0.0000    1.4435   -1.5915 Cl  0  0  0  0  0  0
   -0.0000   -1.4435   -1.5915 Cl  0  0  0  0  0  0
   -0.0000   -1.4435    1.5915 Cl  0  0  0  0  0  0
   -0.0000    1.4435    1.5915 Cl  0  0  0  0  0  0
  1  6  1  0  0  0
  1  5  1  0  0  0
  1  2  2  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
M  END
</ModelData>
<ModelData id="MR" type="XYZVIB" baseModel="RP" vibrationScale=".5">
6
Model[1]: PATH=Calculation 2;Standard;Energy=-1913.6038;Range=M.O.s;NFock==Conv=0.89D-09;E(RHF)=-1913.60370036 A.U.;PATH=Calculation 2;Standard
C      -0.00000      0.00000      0.66095
C       0.00000     -0.00000     -0.66095
Cl      0.00000      1.44353     -1.59145
Cl     -0.00000     -1.44353     -1.59145
Cl     -0.00000     -1.44353      1.59145
Cl     -0.00000      1.44353      1.59145
6
Model[2]: FrequencyLabel=AU;ForceConstant=0.2496 mDyne/A;ReducedMass=34.9689 AMU;FreqValue=110.0584;Frequency=110.0584 cm^-1;Mode=1;PATH=Calculation 2;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 2;FrequenciesFrequencies
C      -0.00000      0.00000      0.66095      0.00000      0.00000      0.00000
C       0.00000     -0.00000     -0.66095     -0.00000      0.00000      0.00000
Cl      0.00000      1.44353     -1.59145      0.50000     -0.00000     -0.00000
Cl     -0.00000     -1.44353     -1.59145     -0.50000     -0.00000     -0.00000
Cl     -0.00000     -1.44353      1.59145      0.50000      0.00000     -0.00000
Cl     -0.00000      1.44353      1.59145     -0.50000      0.00000      0.00000
6
Model[3]: FrequencyLabel=B2U;ForceConstant=0.7369 mDyne/A;ReducedMass=31.8894 AMU;FreqValue=198.0353;Frequency=198.0353 cm^-1;Mode=2;PATH=Calculation 2;FrequenciesFrequencies;IRIntensity=1.1375 KM/Mole;PATH=Calculation 2;FrequenciesFrequencies
C      -0.00000      0.00000      0.66095     -0.00000     -0.26000     -0.00000
C       0.00000     -0.00000     -0.66095      0.00000     -0.26000      0.00000
Cl      0.00000      1.44353     -1.59145      0.00000      0.04000      0.46001
Cl     -0.00000     -1.44353     -1.59145     -0.00000      0.04000     -0.46001
Cl     -0.00000     -1.44353      1.59145      0.00000      0.04000      0.46001
Cl     -0.00000      1.44353      1.59145     -0.00000      0.04000     -0.46001
6
Model[4]: FrequencyLabel=AG;ForceConstant=1.4234 mDyne/A;ReducedMass=34.9431 AMU;FreqValue=262.9360;Frequency=262.9360 cm^-1;Mode=3;PATH=Calculation 2;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 2;FrequenciesFrequencies
C      -0.00000      0.00000      0.66095     -0.00000      0.00000     -0.02000
C       0.00000     -0.00000     -0.66095     -0.00000      0.00000      0.02000
Cl      0.00000      1.44353     -1.59145      0.00000      0.23001      0.44000
Cl     -0.00000     -1.44353     -1.59145     -0.00000     -0.23001      0.44000
Cl     -0.00000     -1.44353      1.59145      0.00000     -0.23001     -0.44000
Cl     -0.00000      1.44353      1.59145     -0.00000      0.23001     -0.44000
6
Model[5]: FrequencyLabel=B3U;ForceConstant=0.8773 mDyne/A;ReducedMass=13.2772 AMU;FreqValue=334.8769;Frequency=334.8769 cm^-1;Mode=4;PATH=Calculation 2;FrequenciesFrequencies;IRIntensity=0.0235 KM/Mole;PATH=Calculation 2;FrequenciesFrequencies
C      -0.00000      0.00000      0.66095      0.69000      0.00000      0.00000
C       0.00000     -0.00000     -0.66095      0.69000      0.00000      0.00000
Cl      0.00000      1.44353     -1.59145     -0.12000     -0.00000     -0.00000
Cl     -0.00000     -1.44353     -1.59145     -0.12000      0.00000     -0.00000
Cl     -0.00000     -1.44353      1.59145     -0.12000     -0.00000     -0.00000
Cl     -0.00000      1.44353      1.59145     -0.12000      0.00000      0.00000
6
Model[6]: FrequencyLabel=B1U;ForceConstant=1.9955 mDyne/A;ReducedMass=28.5124 AMU;FreqValue=344.6574;Frequency=344.6574 cm^-1;Mode=5;PATH=Calculation 2;FrequenciesFrequencies;IRIntensity=0.0214 KM/Mole;PATH=Calculation 2;FrequenciesFrequencies
C      -0.00000      0.00000      0.66095      0.00000     -0.00000     -0.37000
C       0.00000     -0.00000     -0.66095      0.00000      0.00000     -0.37000
Cl      0.00000      1.44353     -1.59145     -0.00000      0.42000      0.06000
Cl     -0.00000     -1.44353     -1.59145     -0.00000     -0.42000      0.06000
Cl     -0.00000     -1.44353      1.59145     -0.00000      0.42000      0.06000
Cl     -0.00000      1.44353      1.59145     -0.00000     -0.42000      0.06000
6
Model[7]: FrequencyLabel=B3G;ForceConstant=2.6890 mDyne/A;ReducedMass=31.7751 AMU;FreqValue=378.9908;Frequency=378.9908 cm^-1;Mode=6;PATH=Calculation 2;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 2;FrequenciesFrequencies
C      -0.00000      0.00000      0.66095     -0.00000      0.26000     -0.00000
C       0.00000     -0.00000     -0.66095     -0.00000     -0.26000     -0.00000
Cl      0.00000      1.44353     -1.59145      0.00000     -0.30001      0.35000
Cl     -0.00000     -1.44353     -1.59145      0.00000     -0.30001     -0.35000
Cl     -0.00000     -1.44353      1.59145      0.00000      0.30001     -0.35000
Cl     -0.00000      1.44353      1.59145      0.00000      0.30001      0.35000
6
Model[8]: FrequencyLabel=AG;ForceConstant=4.8639 mDyne/A;ReducedMass=34.6547 AMU;FreqValue=488.0722;Frequency=488.0722 cm^-1;Mode=7;PATH=Calculation 2;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 2;FrequenciesFrequencies
C      -0.00000      0.00000      0.66095     -0.00000     -0.00000      0.08000
C       0.00000     -0.00000     -0.66095     -0.00000     -0.00000     -0.08000
Cl      0.00000      1.44353     -1.59145      0.00000      0.44000     -0.23001
Cl     -0.00000     -1.44353     -1.59145      0.00000     -0.44000     -0.23001
Cl     -0.00000     -1.44353      1.59145      0.00000     -0.44000      0.23001
Cl     -0.00000      1.44353      1.59145      0.00000      0.44000      0.23001
6
Model[9]: FrequencyLabel=B2G;ForceConstant=2.9806 mDyne/A;ReducedMass=12.2309 AMU;FreqValue=643.1261;Frequency=643.1261 cm^-1;Mode=8;PATH=Calculation 2;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 2;FrequenciesFrequencies
C      -0.00000      0.00000      0.66095      0.70000     -0.00000     -0.00000
C       0.00000     -0.00000     -0.66095     -0.70000     -0.00000     -0.00000
Cl      0.00000      1.44353     -1.59145      0.05000     -0.00000      0.00000
Cl     -0.00000     -1.44353     -1.59145      0.05000      0.00000      0.00000
Cl     -0.00000     -1.44353      1.59145     -0.05000     -0.00000      0.00000
Cl     -0.00000      1.44353      1.59145     -0.05000      0.00000      0.00000
6
Model[10]: FrequencyLabel=B1U;ForceConstant=6.1903 mDyne/A;ReducedMass=14.5261 AMU;FreqValue=850.4668;Frequency=850.4668 cm^-1;Mode=9;PATH=Calculation 2;FrequenciesFrequencies;IRIntensity=81.4290 KM/Mole;PATH=Calculation 2;FrequenciesFrequencies
C      -0.00000      0.00000      0.66095      0.00000      0.00000      0.67000
C       0.00000     -0.00000     -0.66095     -0.00000     -0.00000      0.67000
Cl      0.00000      1.44353     -1.59145      0.00000      0.12000     -0.11000
Cl     -0.00000     -1.44353     -1.59145      0.00000     -0.12000     -0.11000
Cl     -0.00000     -1.44353      1.59145     -0.00000      0.12000     -0.11000
Cl     -0.00000      1.44353      1.59145     -0.00000     -0.12000     -0.11000
6
Model[11]: FrequencyLabel=B2U;ForceConstant=8.1178 mDyne/A;ReducedMass=13.7825 AMU;FreqValue=999.8384;Frequency=999.8384 cm^-1;Mode=10;PATH=Calculation 2;FrequenciesFrequencies;IRIntensity=174.7927 KM/Mole;PATH=Calculation 2;FrequenciesFrequencies
C      -0.00000      0.00000      0.66095      0.00000      0.68000     -0.00000
C       0.00000     -0.00000     -0.66095     -0.00000      0.68000      0.00000
Cl      0.00000      1.44353     -1.59145      0.00000     -0.12000      0.08000
Cl     -0.00000     -1.44353     -1.59145      0.00000     -0.12000     -0.08000
Cl     -0.00000     -1.44353      1.59145      0.00000     -0.12000      0.08000
Cl     -0.00000      1.44353      1.59145     -0.00000     -0.12000     -0.08000
6
Model[12]: FrequencyLabel=B3G;ForceConstant=9.2383 mDyne/A;ReducedMass=12.5653 AMU;FreqValue=1117.0823;Frequency=1117.0823 cm^-1;Mode=11;PATH=Calculation 2;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 2;FrequenciesFrequencies
C      -0.00000      0.00000      0.66095     -0.00000      0.70000     -0.00000
C       0.00000     -0.00000     -0.66095      0.00000     -0.70000     -0.00000
Cl      0.00000      1.44353     -1.59145     -0.00000      0.07000     -0.03000
Cl     -0.00000     -1.44353     -1.59145     -0.00000      0.07000      0.03000
Cl     -0.00000     -1.44353      1.59145      0.00000     -0.07000      0.03000
Cl     -0.00000      1.44353      1.59145     -0.00000     -0.07000     -0.03000
6
Model[13]: FrequencyLabel=AG;ForceConstant=23.6149 mDyne/A;ReducedMass=12.0405 AMU;FreqValue=1824.5088;Frequency=1824.5088 cm^-1;Mode=12;PATH=Calculation 2;FrequenciesFrequencies;IRIntensity=0.0000 KM/Mole;PATH=Calculation 2;FrequenciesFrequencies
C      -0.00000      0.00000      0.66095      0.00000      0.00000      0.71000
C       0.00000     -0.00000     -0.66095      0.00000      0.00000     -0.71000
Cl      0.00000      1.44353     -1.59145     -0.00000     -0.02000      0.01000
Cl     -0.00000     -1.44353     -1.59145     -0.00000      0.02000      0.01000
Cl     -0.00000     -1.44353      1.59145     -0.00000      0.02000     -0.01000
Cl     -0.00000      1.44353      1.59145     -0.00000     -0.02000     -0.01000
</ModelData>
</Models>
##$PEAKS=
<Peaks type="RAMAN" xUnitsExpected="1/cm"  >
<PeakData id="1" title="1 (1825 cm-1)" peakShape="broad" model="MR.13" xMax="1840" xMin="1810"    />
<PeakData id="2" title="2 (1120 cm-1)" peakShape="broad" model="MR.12" xMax="1140" xMin="1100"    />
<PeakData id="3" title="3 (645 cm-1)" peakShape="broad" model="MR.9" xMax="660" xMin="630"    />
<PeakData id="4" title="4 (490 cm-1)" peakShape="broad" model="MR.8" xMax="505" xMin="475"    />
<PeakData id="5" title="5 (380 cm-1)" peakShape="broad" model="MR.7" xMax="395" xMin="365"    />
<PeakData id="6" title="6 (265 cm-1)" peakShape="broad" model="MR.4" xMax="280" xMin="250"    />
</Peaks>
##XUNITS= 1/CM
##YUNITS=RAMAN INTENSITY
##XFACTOR= 1
##YFACTOR= 8.238599E-07
##FIRSTX= 2.024509E+03
##FIRSTY= 0
##LASTX= -8.994160E+01
##NPOINTS= 2001
##MINY= 0
##MAXY= 8.238599E-01
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##END=$$ End of the RAMAN for C2Cl4
##END= $$ end of file