%mem=44GB
%nprocshared=20
%chk=D3BJ1-sub-model2-C1-t1.chk
#P B3LYP/GenECP OPT=(MaxCycle=100) Freq=NoRaman SCRF=(PCM,Solvent=Dichloromethane) EmpiricalDispersion=GD3BJ 

Sub1-OTf

1 1
 C                 -1.77529700    0.97825000   -0.19518500
 C                 -0.39328500    0.87913900   -0.34050100
 C                  0.43559800    1.95127800   -0.58852700
 C                 -0.16236100    3.21283600   -0.70811000
 C                 -1.54342500    3.36138900   -0.57552700
 C                 -2.34712100    2.25358400   -0.32001700
 I                  0.48477800   -1.12226300   -0.13254400
 C                  2.47102100   -0.49770600   -0.44704900
 N                  2.96993500   -0.66537700   -1.64986000
 N                  3.40247300   -0.80937900   -2.68450700
 C                 -2.58194500   -0.23029900    0.08292200
 O                 -3.87301100   -0.01183500    0.18941300
 C                 -4.73447800   -1.16383300    0.46601000
 O                 -2.05902800   -1.34466500    0.20188000
 C                  3.35779600    0.06530200    0.58460600
 O                  2.70696000    0.22893100    1.73837500
 C                  3.48544200    0.78977800    2.82019000
 O                  4.51844700    0.35010200    0.36466900
 H                  1.50711900    1.83671600   -0.69608200
 H                  0.46657000    4.07441500   -0.90579500
 H                 -1.99480500    4.34269300   -0.67017000
 H                 -3.42056700    2.35447100   -0.21310200
 H                 -4.40039200   -1.61056900    1.40529500
 H                 -4.59018200   -1.88753800   -0.33944900
 H                  3.84762800    1.78164200    2.54357600
 H                  4.32937200    0.13679200    3.04982200
 C                  2.51505694    0.87246555    4.01313409
 H                  1.74098277    1.57824104    3.79498248
 H                  2.08136177   -0.09003490    4.18749403
 H                  3.04859802    1.18664223    4.88578920
 H                 -5.73849222   -0.79740047    0.51682973

H C N O 0
6-31G*
****
I 0
SDD
****

I 0
SDD


