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

Optimization Heptenophos CONF4 gas

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Cl   1.8329678719  -2.1794138181   1.6961067794
P   -1.8002078619   0.4468625621  -0.5299247472
O   -0.7221934502  -0.6053600173   0.0867383963
O   -3.1552948504  -0.2942745189  -0.1532017297
O   -1.7898244820   1.6744707092   0.4719733673
O   -1.5690274503   0.8126207668  -1.9284005477
C    1.4087107594   0.2405769559  -1.1959839571
C    2.6488967309  -0.4401835713  -0.5171175136
C    1.5901604959   1.7563458016  -1.0137778099
C    0.5983400051  -0.5131161219  -0.1745209603
C    1.6439617748  -1.1007742715   0.3934614678
C    3.4171767839   0.7025257844   0.0673946796
C    2.8378120613   1.8710595304  -0.1844728411
C   -3.6504250231  -1.3538273363  -0.9669213171
C   -2.0042197414   1.5540422384   1.8739094273
H    1.2217689361  -0.0534439112  -2.2280941978
H    3.2339136016  -1.1207350684  -1.1400894378
H    0.7352413767   2.2368199851  -0.5330809839
H    1.7048165798   2.2547895383  -1.9790291110
H    4.3223761519   0.5691574917   0.6442166313
H    3.2038457593   2.8251875111   0.1736803340
H   -4.7034235252  -1.4745988087  -0.7255878471
H   -3.1253959182  -2.2844814792  -0.7495777131
H   -3.5525001370  -1.1226443546  -2.0276637749
H   -3.0299904383   1.2558534566   2.0894524789
H   -1.8231932146   2.5367526450   2.3018143017
H   -1.3172357665   0.8392547256   2.3284693343

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

Wavefunction Heptenophos CONF4 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 CONF4 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 CONF4 gas

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