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

Optimization triadimefon CONF16 octanol

1 1
Cl   5.5075488252   0.3489803639  -0.2216482519
O   -0.2831035943  -0.4185583138  -0.6887066239
O   -3.2235122945  -0.3362529876  -0.9037007364
N   -1.4495091527   1.3394558006   0.2936703017
N   -1.6743644042   2.0510137159  -0.8155437846
N   -1.8405554438   3.4052690848   0.8776964911
C   -2.7290099082  -2.2109958980   0.5267881915
C   -2.4882382827  -0.8633829143  -0.1119767582
C   -1.2007097958  -0.1019806338   0.2909682704
C   -3.8379452516  -2.9450428065  -0.2199768125
C   -1.4529306419  -3.0590653517   0.5314212730
C   -3.1732611525  -1.9367901725   1.9741749043
C    1.0594390716  -0.1997395495  -0.4949782708
C   -1.5601075760   2.1899265213   1.3074653809
C    1.8617582346  -0.5010374661  -1.5878414087
C    1.6187316455   0.2788160469   0.6789880770
C   -1.9009998087   3.2944032108  -0.4409076360
C    3.2313633710  -0.3315528403  -1.5070462596
C    2.9955717953   0.4471628190   0.7579898799
C    3.7931491683   0.1413247299  -0.3294047126
H   -0.8813242495  -0.3439937931   1.3075737835
H   -4.7794540885  -2.3960118928  -0.2070806626
H   -3.5692125860  -3.1354155996  -1.2600861131
H   -4.0155251158  -3.9102939345   0.2556341728
H   -0.6432057106  -2.6163157654   1.1139464261
H   -1.0861450759  -3.2516784659  -0.4773461409
H   -1.6766365118  -4.0229404811   0.9902769068
H   -4.0811422793  -1.3331235356   2.0111600471
H   -2.4049595675  -1.4354390837   2.5652017162
H   -3.3857872063  -2.8886911313   2.4630750824
H   -1.4270707832   1.8822578963   2.3335488371
H    1.4153664072  -0.8705161071  -2.5022768739
H    1.0305056765   0.5267269884   1.5519992033
H   -2.1038416276   4.0851814904  -1.1454303216
H    3.8517627493  -0.5693449313  -2.3604543823
H    3.4306059964   0.8183533153   1.6759316039
H   -1.6441293929   1.6412918094  -1.7458077246

--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 CONF16 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 CONF16 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 CONF16 octanol

1 1