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

Optimization triadimefon CONF15 octanol

1 1
Cl   5.4966469683  -0.1350645411   0.2751916251
O   -0.2698206633  -0.2327777993  -0.7619058797
O   -3.2268642940  -0.2971665307  -1.0650918854
N   -1.5586356342   1.4979038990   0.1171843708
N   -1.8198190649   2.1628965983  -1.0126624581
N   -2.0574131343   3.5575435009   0.6384183437
C   -2.6336109666  -2.1285170964   0.3835998537
C   -2.4717558583  -0.7685352591  -0.2568198401
C   -1.2431016620   0.0717475514   0.1673138001
C   -1.2973947129  -2.8710808467   0.4843502595
C   -3.1891085461  -1.8732411761   1.7958501200
C   -3.6291057822  -2.9604279187  -0.4183262268
C    1.0636386834  -0.1612938181  -0.4413575949
C   -1.7125338319   2.3730354725   1.1042390682
C    1.5698384431   0.4537377325   0.6926983376
C    1.9167691530  -0.7604545186  -1.3587508447
C   -2.1135521773   3.4023511790  -0.6762067028
C    2.9418305520   0.4568866045   0.9109732268
C    3.2821634146  -0.7508668074  -1.1423371174
C    3.7888647079  -0.1425582222  -0.0030746234
H   -0.9541141487  -0.1222353316   1.2033228801
H   -1.4734462842  -3.8432706230   0.9461693940
H   -0.8520152196  -3.0493902727  -0.4948148578
H   -0.5647087507  -2.3578717077   1.1095104744
H   -3.3424630250  -2.8318919563   2.2935599588
H   -4.1490369844  -1.3561200781   1.7646439128
H   -2.5072934114  -1.2909507921   2.4183147327
H   -3.2799372076  -3.1383976465  -1.4365939775
H   -4.6120718581  -2.4928283729  -0.4726652516
H   -3.7553412633  -3.9320041870   0.0607417969
H   -1.5610081443   2.1041799294   2.1384899875
H    0.9430473373   0.9412983779   1.4271525712
H    1.5127114171  -1.2388547110  -2.2417724452
H   -2.3599824487   4.1583868008  -1.4046132750
H    3.3343809493   0.9348162723   1.7982181735
H    3.9413922656  -1.2229180335  -1.8581947198
H   -1.7767149508   1.7247913140  -1.9291881782

--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 CONF15 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 CONF15 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 CONF15 octanol

1 1