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

coments

0 1
 H                 -1.62644100    1.31676900   -3.25641000
 C                 -3.07478700    3.60999700   -0.06219500
 H                 -3.73145700    4.06941500    0.68248600
 H                 -2.48518400    4.28104000   -0.69309100
 C                 -2.99807400    2.27989900   -0.21466800
 C                 -3.76667900    1.33674500    0.64736600
 C                 -4.03513000    1.62777500    1.99378400
 C                 -4.24168700    0.12703300    0.11842000
 C                 -4.77651600    0.74745200    2.77911400
 H                 -3.64039300    2.54488900    2.43676200
 C                 -4.98476800   -0.75376600    0.90351100
 H                 -4.03289700   -0.12122100   -0.92539000
 C                 -5.25728200   -0.44568100    2.23650400
 H                 -4.97125100    0.98999200    3.82669100
 H                 -5.35260400   -1.68701600    0.47014100
 H                 -5.83537200   -1.13721800    2.85412600
 C                 -2.10443900    1.67419900   -1.25100300
 C                 -2.34342200    1.77611400   -2.56760100
 C                 -3.51474800    2.43792200   -3.22401500
 H                 -4.27447800    2.77065200   -2.50367700
 H                 -3.18902300    3.31696700   -3.80533600
 H                 -3.98895900    1.74903900   -3.94181300
 C                 -0.88685900    0.94648900   -0.67194700
 H                 -1.24766700    0.34032600    0.17501900
 C                  0.03247000    1.98516000   -0.11350700
 H                 -0.26148534    2.91574465   -0.55225802
 C                  0.18465100    2.22993400    1.28799500
 H                  0.87955300    3.05445900    1.56416100
 O                 -0.39566600    1.58865400    2.16449000
 C                 -0.15009600    0.03331800   -1.65169200
 H                  0.30388800    0.59905200   -2.47979700
 H                  0.65755600   -0.50340200   -1.13213200
 H                 -0.83756000   -0.71271800   -2.07842300
 H                  1.00855639    1.75696370   -0.48778204

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

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

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

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







