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

opt of Geom

0 1
C    -0.0355943298    0.0959244535    0.0245635093
C    0.0582774878    0.6456830577    2.2426891335
C    1.3432631005    -0.1349964012    -0.0039084252
C    1.4396444397    0.4477727571    2.2994802908
H    -0.4780893748    0.9603087591    3.1368277445
C    2.1213754756    0.040308132    1.1487340874
H    1.8034742572    -0.4733065415    -0.9252217218
H    1.9561784322    0.6093118796    3.2378245003
C    -0.8581666222    -0.0821092656    -1.2066938947
C    -0.3255201379    0.2155236055    -2.4648993606
C    -1.0921337307    0.0406106619    -3.6252836656
H    0.6837713333    0.6051299216    -2.5327388716
C    -2.849858055    -0.6981112851    -2.1473500385
C    -2.3936090976    -0.4360701888    -3.4410834534
H    -3.8637096149    -1.0668415513    -1.9980001634
H    -3.0606620793    -0.6028665032    -4.2781103748
N    -0.6809854131    0.478815046    1.1440130896
N    -2.1182181263    -0.5315054804    -1.0435461877
C    3.6295331032    -0.2225428123    1.1077752255
C    -0.5009629011    0.3767366965    -4.9974489934
C    3.8728941251    -1.6966334292    0.7190351321
H    3.4178174824    -2.3750522915    1.4498166167
H    3.4557305611    -1.9311484739    -0.2658449209
H    4.9492324627    -1.9030522286    0.6857209054
C    4.2743988887    0.6993487025    0.050671332
H    3.8662054916    0.5186927522    -0.9493883725
H    4.1108800598    1.7546025493    0.2981518196
H    5.3556058124    0.5225230024    0.0081870135
C    4.2995319676    0.0437901515    2.4643934947
H    4.1726388732    1.0846945759    2.7828838111
H    3.8998105911    -0.607264927    3.2500202395
H    5.3746830722    -0.1516506518    2.3861070679
C    0.7637017652    -0.4786324343    -5.2258793227
H    1.5277027403    -0.2856540292    -4.4653284803
H    0.5237937491    -1.5479379145    -5.2018731909
H    1.2001693823    -0.2488656968    -6.2050549165
C    -0.1203933212    1.8725620418    -5.0285387806
H    -1.0001097859    2.5044790083    -4.8607019816
H    0.6235950139    2.1183639863    -4.263638488
H    0.3043654215    2.1313763264    -6.0056862351
C    -1.4926850432    0.0993349779    -6.1375234961
H    -1.7853085662    -0.9561648923    -6.1737243414
H    -2.4010792708    0.7048556344    -6.0425160088
H    -1.0261915298    0.348531999    -7.0969817573


