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

opt of Geom

1,2 
Ni    -1.3372804759    -0.2517485466    0.3688059012
C    1.2293907021    0.8537333411    -0.0146314375
C    -0.341525774    2.5558120903    0.2177908212
C    2.2502952015    1.7895704558    -0.1141148683
C    0.6432369764    3.5319276121    0.1263389185
H    -1.3794228334    2.8243198335    0.3582167474
C    1.9810000159    3.1649800555    -0.0480322569
H    3.2699825978    1.4476469365    -0.2329028143
H    0.3420911498    4.5686173012    0.198159246
C    1.4526017991    -0.6059871179    -0.0298133611
C    2.6948110896    -1.2139524558    -0.1688846898
C    2.8128100061    -2.6126650973    -0.1284043935
H    3.5785312322    -0.6036576941    -0.2997876383
C    0.4204986662    -2.6751033511    0.1925956661
C    1.6332564334    -3.3421392203    0.0596564027
H    -0.5098086934    -3.2069456137    0.3541770011
H    1.6367948444    -4.4227105367    0.1118512456
C    -2.8937864378    0.8590193054    0.1666316797
C    -3.7983591855    1.2087524805    1.1601641751
C    -3.0827674649    1.2140237577    -1.1665910794
C    -4.9493100831    1.9181184262    0.7908310123
C    -4.2400325586    1.9194201076    -1.5213075211
C    -5.1726646524    2.2668220412    -0.5425219021
H    -5.6691564369    2.1935345338    1.5567978788
H    -4.3986992581    2.1969028961    -2.5597368249
Cl    -1.3303381613    -0.3966309738    2.6622066216
N    -0.0661476707    1.2462736378    0.1401377859
N    0.3311026246    -1.3436742009    0.1389243593
H    -2.3490502702    0.9662843659    -1.9309741527
H    -6.0684470598    2.8158818908    -0.8177371939
H    -3.625561291    0.9376380093    2.1944206568
C    3.123873309    4.1734841493    -0.1495926465
C    4.1874897325    -3.2668252886    -0.2670744286
C    4.1044901835    3.9275004515    1.0181920173
H    3.6045661782    4.0559843203    1.9846806083
H    4.5324109792    2.9200136298    0.9865991334
H    4.9302345919    4.6454838706    0.961850392
C    3.8580175292    3.9688463911    -1.4929098888
H    4.29016746    2.9661269341    -1.576424854
H    3.1787674959    4.1204781362    -2.3394601953
H    4.6756466446    4.6931750197    -1.5776193502
C    2.6209081822    5.6227656892    -0.0768431046
H    1.9275323488    5.8543309007    -0.8931546108
H    2.1187008706    5.8316055796    0.8741694327
H    3.4726768122    6.3057041334    -0.1594611772
C    5.0729160176    -2.8051118921    0.9115679857
H    5.2068243434    -1.718335477    0.9211512713
H    4.6349762916    -3.1028234626    1.8708421245
H    6.0639102873    -3.2655780286    0.8300676379
C    4.826813585    -2.8222742193    -1.6005016784
H    4.2088337104    -3.1244798122    -2.4537181097
H    4.9659251565    -1.7371812552    -1.6464836414
H    5.811443576    -3.2900460832    -1.7102705115
C    4.1009936454    -4.8004196424    -0.2482680783
H    3.689757418    -5.1736128521    0.6960593673
H    3.4848099208    -5.1828048034    -1.0699393843
H    5.1055867213    -5.2207477472    -0.3617111797
O    -2.4770477328    -1.863979353    0.0134965433
C    -2.7042084871    -2.2047140352    -1.3985842796
C    -4.0723593876    -2.8804563548    -1.4345886129
C    -4.7895344914    -2.2611032715    -0.2261259819
C    -3.6752478116    -2.1858222192    0.8010949094
H    -2.6940572841    -1.2764765665    -1.9733095939
H    -3.9684495265    -3.9623994831    -1.302450037
H    -4.5842491741    -2.6933444582    -2.3819177726
H    -5.6288161545    -2.8655547299    0.1274661324
H    -5.1521966392    -1.2548191969    -0.4619764195
H    -3.4838243334    -3.1483227225    1.2851070362
H    -3.7898379172    -1.4131904079    1.556749749
H    -1.8760330838    -2.8417371126    -1.716097789



