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

Optimization dimepiperate CONF1 octanol

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S    0.0175116543  -1.6701712105  -0.3793146410
O    0.2186928971   0.0065873322   1.6486434301
N    2.1798850998  -0.5376212780   0.6589041135
C    4.1201293958   1.1234630392  -0.6676769887
C    3.3542670657   0.0331807103  -1.4106861782
C    3.3472320181   1.6077463471   0.5552984813
C    2.9360255367  -1.0796900159  -0.4596797354
C    2.9389778294   0.4349663456   1.4371587450
C   -1.7761803214  -1.3511290841  -0.0673392324
C    0.8409145381  -0.5931229797   0.7925493588
C   -2.0880007418   0.1345207678  -0.1405402654
C   -2.4603923758  -2.0669960620  -1.2395480139
C   -2.2044532406  -2.0243917664   1.2304501022
C   -2.8727012293   0.7637711766   0.8206778487
C   -1.6333622509   0.8967347991  -1.2175538477
C   -3.1848647096   2.1142549150   0.7175988587
C   -1.9406033599   2.2439392927  -1.3216925280
C   -2.7188534348   2.8623825445  -0.3512154739
H    5.0885978054   0.7255286992  -0.3462602144
H    4.3343271249   1.9588346886  -1.3377097894
H    2.4601927678   0.4525954568  -1.8823265566
H    3.9676459526  -0.3902833616  -2.2091143902
H    3.9524236964   2.3035698788   1.1408873096
H    2.4489032302   2.1498254846   0.2442756502
H    2.3698915963  -1.8486483061  -0.9817151707
H    3.8202401517  -1.5778213565  -0.0513592180
H    3.8277510369  -0.0694261809   1.8288091800
H    2.3522502015   0.7634236560   2.2908226736
H   -2.2381792331  -3.1357870372  -1.2378457760
H   -2.1662511658  -1.6599757270  -2.2068670148
H   -3.5418431345  -1.9537842227  -1.1445477970
H   -1.9298153724  -3.0788480990   1.2080422300
H   -3.2894052326  -1.9765910794   1.3450527733
H   -1.7496969342  -1.5756393855   2.1103670145
H   -3.2435350030   0.2128608879   1.6740070663
H   -1.0142048274   0.4399119434  -1.9801174962
H   -3.7907601694   2.5802733973   1.4844226375
H   -1.5672784790   2.8133007381  -2.1636645587
H   -2.9567820732   3.9155350676  -0.4287760075

--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 dimepiperate 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 dimepiperate 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 dimepiperate CONF1 octanol

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