%mem=100GB
%nprocshared=24
#P B3LYP/Def2TZVPP SCRF(SMD,Solvent=THF) EmpiricalDispersion=GD3BJ 

opt of Geom

0,2 
O    1.42008787    -1.0419454146    0.0998704134
C    1.9167485535    -0.6303204379    -1.1851487995
C    0.9581910111    -1.2039170925    -2.2373281687
C    -0.3469742662    -1.3480817567    -1.4419897151
C    0.1819317707    -1.7546825902    -0.067425549
H    1.9354490502    0.4686250426    -1.2157304916
H    1.3073192963    -2.1854348314    -2.5773798077
H    0.8618500043    -0.5546719383    -3.112598684
H    -1.0338639292    -2.0873991698    -1.8650639158
H    -0.8673140765    -0.3844924885    -1.38293847
H    0.3650156597    -2.8362217416    -0.019777342
H    -0.4831613338    -1.4733477721    0.7567997685
H    2.9428422704    -0.9954372825    -1.3071631677
O    3.7531308149    -1.5284236303    -5.9321167824
C    4.9785830763    -1.3943987404    -5.3400557593
C    5.1365780794    0.0375476143    -4.860967028
C    3.6811786546    0.3895326015    -4.5134100792
C    2.8893061744    -0.4191343367    -5.5428473531
H    4.9788650043    -2.0891429069    -4.3298811726
H    5.5135660902    0.6526030557    -5.6888729554
H    5.824834812    0.1256705619    -4.0179441926
H    3.4689678476    1.4585702698    -4.5845926201
H    3.4454412553    0.0531858127    -3.5001001974
H    2.6846595771    0.1436082556    -6.4603069749
H    1.9559870351    -0.8459933425    -5.1693538659
H    5.7605693241    -1.8656718709    -5.9433618225
Cl    5.0100226343    -2.973571213    -2.8423873389
O    1.4732526298    -4.9452576114    0.2351387861
C    1.6848737872    -4.8220725903    1.6520043517
C    3.1632853562    -4.4708818827    1.8454650969
C    3.4737392958    -3.713849716    0.5468718232
C    2.6505826483    -4.5073731113    -0.4660683509
H    1.0351672366    -4.0248987115    2.0412019896
H    3.768954698    -5.3829179929    1.9109469354
H    3.3361946676    -3.8787364615    2.749342088
H    4.5381530046    -3.6894356962    0.2966532781
H    3.095130004    -2.6881792878    0.6056510304
H    3.2057058286    -5.3848284793    -0.8318704181
H    2.337120193    -3.9169041348    -1.331540251
H    1.3980093905    -5.7637179815    2.1356517121



