%chk=5_iso_H_final.chk
%Mem=75000MB
%NProc=16
#p scrf(smd,solvent=acetonitrile) opt freq wB97xD/def2SVP nosymm SCF=(XQC) 

coments

0 1
 H                 -2.38962600    0.30440300   -0.35141000
 C                 -4.80560800   -1.89802400    0.19600800
 H                 -5.71668500   -2.32367000   -0.23388400
 H                 -4.30728600   -2.47593400    0.97803200
 C                 -4.31162100   -0.71929700   -0.22145400
 C                 -4.95031300    0.04097400   -1.33694600
 C                 -5.58770700   -0.61469400   -2.40240000
 C                 -4.92694400    1.44445200   -1.33863500
 C                 -6.19801200    0.10965300   -3.42455500
 H                 -5.59070000   -1.70672200   -2.44093200
 C                 -5.53866800    2.17010400   -2.36035500
 H                 -4.43402200    1.97580200   -0.52044100
 C                 -6.17800600    1.50538600   -3.40689500
 H                 -6.68476500   -0.42058500   -4.24677400
 H                 -5.51569600    3.26237400   -2.33712200
 H                 -6.65392800    2.07253300   -4.21042600
 C                 -3.10195500   -0.10816900    0.37403900
 C                 -2.81152600    0.04027900    1.68039800
 C                 -3.69735700   -0.40221900    2.81233400
 H                 -4.74389200   -0.51237100    2.49661200
 H                 -3.36977400   -1.37638500    3.21177400
 H                 -3.65753500    0.31307700    3.64761500
 C                 -1.49918400    0.72858600    2.06213500
 H                 -0.91222800    0.85125100    1.14029400
 C                 -0.70781700   -0.14481800    2.97901200
 H                 -1.38855616   -0.87043676    3.37267635
 C                  0.45230900   -0.86493800    2.54680800
 H                  0.94589500   -1.49783000    3.31808900
 O                  0.90649400   -0.81330900    1.40400900
 C                 -1.73578100    2.11483700    2.68207800
 H                 -2.29420300    2.05253400    3.62852500
 H                 -0.77591800    2.61152300    2.88975000
 H                 -2.30605600    2.74789600    1.98542500
 H                 -0.39734914    0.47224125    3.79617024

--link1--
%chk=5_iso_H_final.chk
%Mem=57428MB
%NProc=16
#p wB97xD/Def2TZVPP scrf(smd,solvent=acetonitrile) scf=(XQC) geom=allcheck guess=read nosymm

--link1--
%chk=5_iso_H_final.chk
%Mem=57428MB
%NProc=16
#p M06L/Def2TZVPP scrf(smd,solvent=acetonitrile) scf=(XQC) geom=allcheck guess=read nosymm

--link1--
%chk=5_iso_H_final.chk
%Mem=57428MB
%NProc=16
#p M06/Def2TZVPP scrf(smd,solvent=acetonitrile) scf=(XQC) geom=allcheck guess=read nosymm

--link1--
%chk=5_iso_H_final.chk
%Mem=57428MB
%NProc=16
#p PBE1PBE/Def2TZVPP EmpiricalDispersion=GD3BJ scrf(smd,solvent=acetonitrile) scf=(XQC) geom=allcheck guess=read nosymm







