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

Optimization Azinphos-ethyl CONF344 octanol

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S    1.3390488127   1.7915945505  -1.4888972685
S    3.5862505907  -0.6070684896  -1.4891448925
P    2.0826218834   0.1037413923  -0.5255755489
O    0.8501515120  -0.8967529015  -0.3082679625
O    2.3164305534   0.6297007049   0.9592952101
O   -0.6496537267   1.0204093898   1.9558971837
N   -1.0793110956   1.4825419302  -0.2318971940
N   -1.7789808472   1.3363305423  -1.3713577089
N   -2.7090327873   0.5144294888  -1.4541740033
C    0.0273111063   2.3962052034  -0.3656968835
C   -2.3702357211  -0.1736022882   0.8467474572
C   -1.2999910294   0.7993387916   0.9540462977
C   -3.0329912643  -0.2864504808  -0.3744367994
C   -2.7086868988  -1.0082268388   1.9107343003
C   -4.0409216026  -1.2376509388  -0.5414175887
C    0.3683170629  -1.7593737467  -1.3550606685
C    2.7101535445  -0.2733785696   2.0185749624
C   -3.7021699767  -1.9493217451   1.7385141690
C   -4.3659847903  -2.0640785796   0.5127701774
C   -0.3699210396  -2.9143044064  -0.7296161632
C    3.0890109137   0.5542357918   3.2175747671
H   -0.3177763019   3.3234343486  -0.8216026073
H    0.4360389497   2.6277325288   0.6118844611
H   -2.1902247995  -0.9226098416   2.8563195039
H   -4.5451120605  -1.3161579267  -1.4956490683
H   -0.2819419472  -1.1812961755  -2.0156234514
H    1.2109184889  -2.1218606933  -1.9489867816
H    1.8774534757  -0.9397341145   2.2507213775
H    3.5533977134  -0.8816904949   1.6819672801
H   -3.9687442632  -2.6064576443   2.5555944815
H   -5.1404136107  -2.8097955769   0.3917205801
H   -0.7547084317  -3.5569802589  -1.5222333397
H    0.2891123298  -3.5161190606  -0.1027365039
H   -1.2175901890  -2.5834488959  -0.1290093582
H    3.3763853794  -0.1131292559   4.0311707219
H    3.9357280778   1.2079000780   3.0050482901
H    2.2513621317   1.1615594316   3.5633403110

--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 CONF344 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 CONF344 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 CONF344 octanol

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