%chk=opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 opt freq

Optimization Heptenophos CONF5 gas

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Cl   1.8081061797  -2.0616529689   1.8243337310
P   -1.8122151005   0.4799589562  -0.4986031854
O   -0.7415921878  -0.5784020362   0.1229445605
O   -3.1743554612  -0.2403283424  -0.1068256879
O   -1.7828533832   1.7168612825   0.4921434927
O   -1.5858986538   0.8258436977  -1.9029488429
C    1.3970634991   0.2286058347  -1.1740208179
C    2.6347407279  -0.4144893438  -0.4532111137
C    1.5703637658   1.7523044070  -1.0578423684
C    0.5811885236  -0.4861830496  -0.1288559936
C    1.6246479491  -1.0424006624   0.4738781450
C    3.3887176084   0.7570377351   0.0918705332
C    2.8063348102   1.9102980193  -0.2179574385
C   -3.6414360419  -1.3531108709  -0.8653486481
C   -1.8932137678   1.5967118076   1.9068421231
H    1.2224216736  -0.1117785926  -2.1942796305
H    3.2310774179  -1.1165593889  -1.0407249282
H    0.7072354998   2.2517088137  -0.6125584880
H    1.6967387349   2.2060950940  -2.0435829065
H    4.2863229630   0.6542167240   0.6868522616
H    3.1614306807   2.8811312287   0.1050143166
H   -4.6701023949  -1.5322353318  -0.5632968855
H   -3.0484394821  -2.2443443344  -0.6553460609
H   -3.6146035278  -1.1445635180  -1.9352836434
H   -1.7830454712   2.5989920597   2.3128934773
H   -1.1092355347   0.9605543096   2.3191867321
H   -2.8673368754   1.2018541726   2.1952682953

--Link1--
%oldchk=opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read output=wfx

Wavefunction Heptenophos CONF5 gas

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opt-b3lyp-pople.wfx

--Link1--
%oldchk=opt-b3lyp-pople.chk
#P B3LYP 6-311+G(d,p) EmpiricalDispersion=gd3 geom=check guess=read td=(singlets,nstates=10)

Electronic spectrum Heptenophos CONF5 gas

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--Link1--
%oldchk=opt-b3lyp-pople.chk
#P B3LYP 6-311+G(3df,2p) EmpiricalDispersion=gd3 geom=check guess=read

Single Point Heptenophos CONF5 gas

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