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

Optimization Acephate CONF1 octanol

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S    0.8486450552   1.2870290838  -0.8275271286
P    0.3969016828  -0.3803360892   0.3270681622
O    1.2915590110  -1.5461300457  -0.3013680187
O    0.5273670857  -0.1279606807   1.7797377094
O   -2.2197936256   0.8177325039   0.5081949132
N   -1.0915394099  -0.9939573777  -0.1882478866
C   -2.2461761266  -0.2840125007  -0.0038988989
C   -3.4948351912  -0.9685769960  -0.4701760845
C    0.7854949261   2.6066396429   0.4182404368
C    2.7089982966  -1.5450770264  -0.0929306438
H   -1.1319319447  -1.9024266652  -0.6347907669
H   -3.4214791399  -1.2288045728  -1.5271476288
H   -4.3584192655  -0.3257785154  -0.3212835288
H   -3.6458039858  -1.8968165393   0.0834643356
H   -0.2230464763   2.7385281789   0.7971567729
H    1.0928650097   3.5162928941  -0.0940591663
H    1.4756387855   2.4155302303   1.2340564766
H    3.1847631138  -0.7327974701  -0.6435878374
H    3.0823910161  -2.4947497616  -0.4672048999
H    2.9584667689  -1.4575391022   0.9647554235

--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 Acephate CONF1 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 Acephate CONF1 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 Acephate CONF1 octanol

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