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

opt of Geom

0 2
Ni    -1.5793044094    -0.8927179882    0.2180181752
C    0.420225166    1.2964274753    0.2853846819
C    -1.6745441825    2.2225424297    -0.0104765884
C    1.0257189694    2.5207820013    0.0117645709
C    -1.1373532262    3.4782056365    -0.2801261702
H    -2.7462694713    2.0577023168    -0.0190555795
C    0.2506343024    3.651857631    -0.2803221811
H    2.1052853578    2.5973077642    0.0089723853
H    -1.812524668    4.2973566681    -0.4924247386
C    1.1792631652    0.0644302131    0.6000058296
C    2.5539031202    0.0576273238    0.8195115158
C    3.2310317831    -1.1355054965    1.1100535203
H    3.1052000007    0.9877785661    0.7746178899
C    1.0756058361    -2.2129831153    0.97823107
C    2.4491902583    -2.2906318944    1.1933629179
H    0.4380644611    -3.085713622    1.0544314765
H    2.8824268546    -3.2555755049    1.4234032426
C    -3.4690249356    -0.4870017261    0.0384301963
C    -3.962226565    0.0602862692    1.2371759073
C    -4.3711114661    -0.6372849242    -1.0193488624
C    -5.2990181566    0.4476049829    1.3709561072
C    -5.7145696809    -0.2601418581    -0.8936123327
C    -6.1838738493    0.2873003375    0.3008568148
H    -5.6478121517    0.8718386829    2.3101502797
H    -6.3923034022    -0.3947649196    -1.7341701457
Cl    -2.0720595648    -2.980283683    1.3565552037
N    -0.9226610382    1.1541316521    0.2687609423
N    0.4476738312    -1.0731230401    0.6711797943
H    -4.0457596472    -1.0544242486    -1.9694415355
H    -7.2249891657    0.5840048232    0.3992535694
H    -3.2944145161    0.1946359269    2.0880797827
C    0.9324738273    4.9877528518    -0.5815525168
C    4.7455080694    -1.1233758435    1.3217731129
C    1.7555994741    5.4166969287    0.652398127
H    1.1108930879    5.5426972516    1.5296847046
H    2.5279472512    4.6813436929    0.9015620352
H    2.2531656432    6.372998553    0.4539667359
C    1.8733161243    4.8101741692    -1.7926785737
H    2.6506612201    4.0636132977    -1.5992821255
H    1.3137109424    4.4956108744    -2.6809729508
H    2.3699158164    5.7604245086    -2.0202875286
C    -0.0824082445    6.0941825246    -0.9059218665
H    -0.685680694    5.8463226926    -1.7864718409
H    -0.7598661769    6.2840177083    -0.0659298264
H    0.4512423299    7.026534469    -1.1194601497
C    5.0786111702    -0.2065172365    2.5185533385
H    4.7463464159    0.8230108109    2.3486916439
H    4.6019816083    -0.5704642417    3.4358054912
H    6.1623822596    -0.18700406    2.6811835379
C    5.4225450094    -0.5739179882    0.0472868887
H    5.1909401054    -1.2008038981    -0.8214885383
H    5.1013772463    0.4488429121    -0.1765848644
H    6.5104964495    -0.5623520794    0.1795399864
C    5.2989756603    -2.5275929078    1.6070900302
H    4.8701338538    -2.9561720998    2.5197672346
H    5.1040091288    -3.2170813612    0.7779511715
H    6.3840878518    -2.4702381183    1.74446986
O    -0.1272854721    -0.659092728    -2.1334524217
C    -1.4384543735    -0.9629345347    -1.7718414691
C    -1.7166153605    -2.3786321829    -2.2625063613
C    -0.3332098908    -3.0363798565    -2.1498227196
C    0.6213673372    -1.8659024696    -2.4064728386
H    -2.08466595    -0.1676340111    -2.1358139993
H    -2.0416541113    -2.3397248576    -3.3126741401
H    -2.4810194575    -2.8954079101    -1.6817939794
H    -0.1874084424    -3.8481833336    -2.8673105776
H    -0.1957031898    -3.4383749673    -1.1431453093
H    0.9420621612    -1.8121617467    -3.4534832142
H    1.5109287902    -1.8783267124    -1.7697789558


