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

Optimization triadimefon CONF26 octanol

1 1
Cl   5.3099668270   0.7201463379   0.4026230666
O   -0.2750055695  -0.5781797900  -0.8124095105
O   -3.2296483204  -0.2837894609  -1.1197095457
N   -1.3718642915   1.1690244425   0.2691916242
N   -1.6835315319   1.9926515799  -0.7391989079
N   -1.1803150659   3.2263472815   0.9798701893
C   -2.8723675208  -2.3206212961   0.1079028305
C   -2.5395699411  -0.9267623522  -0.3718164938
C   -1.2350610559  -0.2794052466   0.1429419593
C   -1.6333884043  -3.2192065526   0.1522360188
C   -3.4427271825  -2.1574239204   1.5283358933
C   -3.9257198317  -2.9423145389  -0.8036287665
C    1.0321317648  -0.2726463410  -0.4867766849
C   -1.0546038658   1.9524412205   1.2948388723
C    1.6764796867  -0.9082127057   0.5631888716
C    1.6909141799   0.6638326217  -1.2650197935
C   -1.5696959553   3.2243564948  -0.2861489135
C    2.9984759731  -0.5989284440   0.8394692514
C    3.0166707473   0.9682073894  -0.9957973841
C    3.6583637765   0.3377139175   0.0582514382
H   -0.9772059973  -0.6177667930   1.1500778118
H   -1.9342013071  -4.2100133171   0.4950672087
H   -1.1755859431  -3.3361402431  -0.8303055412
H   -0.8710795430  -2.8668360113   0.8484915395
H   -2.7240714670  -1.7161912421   2.2212791606
H   -3.7064816433  -3.1418156716   1.9177212711
H   -4.3435793269  -1.5425852352   1.5335528408
H   -3.5642338587  -3.0430965695  -1.8280630205
H   -4.8513460088  -2.3675632864  -0.8237844709
H   -4.1684026530  -3.9420564828  -0.4414683551
H   -0.7386456954   1.5513814457   2.2455651617
H    1.1666110103  -1.6524388621   1.1626108701
H    1.1800456465   1.1488853589  -2.0870811392
H   -1.7793178236   4.0880843556  -0.8970613355
H    3.5066333815  -1.0950738187   1.6551293206
H    3.5361205109   1.6955233288  -1.6047721924
H   -1.9930725450   1.6528704094  -1.6455471082

--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 triadimefon CONF26 octanol

1 1

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 triadimefon CONF26 octanol

1 1

--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 triadimefon CONF26 octanol

1 1