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

opt of Geom

0 2
Ni    -1.2710684229    -1.1625359659    0.9480199984
C    0.552533238    0.9137930363    0.3792100263
C    -1.62094463    1.7085289814    0.3118624607
C    1.0480721635    2.1830136321    0.0859280613
C    -1.1859687763    2.9881435101    0.0083725974
H    -2.6740195624    1.4875110732    0.4083159599
C    0.1841596691    3.2613695152    -0.1104678243
H    2.1163289556    2.3185922636    0.0020810755
H    -1.9297084305    3.7641049903    -0.1325710946
C    1.4132155958    -0.2698991609    0.5445225215
C    2.7891472628    -0.2686288042    0.3436640364
C    3.5306391629    -1.4505176677    0.478240614
H    3.2867372179    0.6497510098    0.0613823289
C    1.4402465425    -2.534456677    1.0200531316
C    2.8178733566    -2.6003629294    0.8348671821
H    0.856777763    -3.408272658    1.2858716624
H    3.3111928178    -3.5548386696    0.9653413907
C    -3.1270080726    -0.8004489846    0.9171787437
C    -3.790977153    -0.2773791033    2.040004127
C    -3.8767183507    -0.9771290902    -0.2583514225
C    -5.1454701067    0.0712841617    1.98800721
C    -5.2305870908    -0.6278003834    -0.3178480996
C    -5.8706158827    -0.0986653891    0.8057817315
H    -5.6337966546    0.4759459484    2.8722621593
H    -5.7853201276    -0.7709352654    -1.2430732196
Cl    -1.6971775332    -3.2688426155    1.513569991
N    -0.7782459335    0.6761299354    0.5032661304
N    0.7445030508    -1.4013379354    0.872469091
H    -3.4024761624    -1.3912224436    -1.1457636294
H    -6.9222712857    0.1733129942    0.7622338071
H    -3.2460827483    -0.1287862171    2.9709819047
C    0.6732890186    4.6701013714    -0.4450772781
C    5.0367467483    -1.4414709461    0.213501488
C    0.2063242237    5.6349876974    0.6661163239
H    -0.8846053285    5.6517320881    0.7566406258
H    0.6237567522    5.3461930705    1.6374862516
H    0.541342299    6.6536173365    0.4392441031
C    2.2038932104    4.7436696535    -0.5526056583
H    2.6923100072    4.4693493216    0.3893516761
H    2.5874818632    4.09016816    -1.3443680591
H    2.5022403026    5.7692923277    -0.7944440748
C    0.0617086362    5.1026049484    -1.7951615569
H    0.3747774253    4.4290201225    -2.6012105233
H    -1.0324905519    5.1096736407    -1.7632511757
H    0.3972990758    6.1151008113    -2.0471702437
C    5.7121877236    -0.4260853526    1.1598841079
H    5.3314702733    0.589360583    1.0086942174
H    5.5484186142    -0.6983169517    2.2087887357
H    6.7925459141    -0.4093114476    0.9762101949
C    5.2740966781    -1.0194482775    -1.2533397511
H    4.7976524807    -1.7235383898    -1.9451387528
H    4.8746365164    -0.0209987094    -1.4598059528
H    6.3490183538    -1.0039093738    -1.4672290566
C    5.6714225633    -2.8221373441    0.438009443
H    5.5386880549    -3.1675465191    1.4694224158
H    5.2520081269    -3.5776081215    -0.235825899
H    6.7474073812    -2.7635892975    0.2420763064
O    1.0688387546    0.0131195368    -2.609819514
C    -0.1423402399    0.6411580102    -2.7986399255
C    -1.2149968957    -0.340545452    -3.1519985868
C    -0.6365711645    -1.6420872339    -2.5621315057
C    0.8719991256    -1.4192680241    -2.6876349119
H    -0.0584544308    1.6559748556    -3.1758915112
H    -1.3532148779    -0.434593961    -4.2437049538
H    -2.1893585398    -0.0808030704    -2.7233378005
H    -0.9676563608    -2.5426979876    -3.086111709
H    -0.9181770446    -1.7323920413    -1.5076963825
H    1.2547663849    -1.7584236396    -3.6591678711
H    1.4603371383    -1.8860853053    -1.8943940917


