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

Optimization Azinphos-ethyl CONF280 octanol

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S    1.5614180021   1.7224273811  -1.3580193463
S    3.9107509330   0.5048883839   0.5951545153
P    2.2210449975   0.1004948821  -0.2279904757
O    2.1595335355  -1.1034160218  -1.2674540023
O    1.0271703238  -0.2772943135   0.7743007543
O   -1.0431003443  -1.3583834940  -1.4995176051
N   -1.0564195975   0.9012968297  -1.2317448655
N   -1.5204911299   2.0408058352  -0.6890369062
N   -2.4120564511   2.0230617840   0.1781309637
C    0.0287807028   1.1209865448  -2.1552214124
C   -2.5219673518  -0.3990454586   0.0867228335
C   -1.4928052402  -0.3816645262  -0.9355195459
C   -2.9379389093   0.8218135270   0.6165886565
C   -3.0635073999  -1.5924164662   0.5633424709
C   -3.8986638914   0.8582531305   1.6286843610
C    2.7521612005  -2.3960389818  -0.9965181933
C    0.7385350200   0.5276386480   1.9339780660
C   -4.0089143197  -1.5500380378   1.5664895486
C   -4.4244366431  -0.3253272306   2.0991457126
C    1.8415631540  -3.2983100667  -0.2009637777
C   -0.1014703014  -0.2806332905   2.8875694041
H    0.2176092506   0.2176467633  -2.7254564649
H   -0.2434458523   1.9129412899  -2.8514609832
H   -2.7372489561  -2.5396627216   0.1557124836
H   -4.2099982556   1.8131406263   2.0312498997
H    2.9530349491  -2.8180307138  -1.9798469807
H    3.7102353268  -2.2559825342  -0.4911589510
H    1.6737951266   0.8298128493   2.4110775198
H    0.2172130082   1.4337856013   1.6168841036
H   -4.4309921189  -2.4702262145   1.9474836225
H   -5.1646137139  -0.3084263570   2.8881027849
H    0.8702032872  -3.4162966842  -0.6804088718
H    2.3024740588  -4.2850428207  -0.1375256672
H    1.6891130549  -2.9424938263   0.8173550382
H   -0.3293020963   0.3303240430   3.7615291617
H   -1.0471391699  -0.5895095336   2.4429430768
H    0.4290427717  -1.1695409874   3.2300393882

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

Wavefunction Azinphos-ethyl CONF280 octanol

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opt-b3lyp-pople.wfx

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

Electronic spectrum Azinphos-ethyl CONF280 octanol

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

Single Point Azinphos-ethyl CONF280 octanol

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