%nprocshared=28
%mem=120GB
%chk=CHAA_Ni_2.chk
#p opt freq b3lyp/genecp scrf=(solvent=generic,read,pcm)
empiricaldispersion=gd3bj

CHAA_Ni_2

1 2
 Ni                -1.41065600   -0.11368800    0.40092800
 N                  0.21004600   -1.40512700    0.86497900
 N                 -2.39675500   -1.91196200   -0.16571600
 N                 -3.15534900    1.09717000    0.26186400
 N                 -0.53444700    1.62669500    1.26940000
 C                 -2.64477000    2.48650400    0.31141200
 H                 -2.16312700    2.68701500   -0.64951300
 H                 -3.45738200    3.21007600    0.45039300
 C                 -1.62911000    2.61138900    1.44818800
 H                 -2.11458300    2.39042300    2.40463800
 H                 -1.24151600    3.63545300    1.50107000
 C                 -1.29410600   -2.86117100   -0.44159700
 H                 -1.66476300   -3.88657100   -0.56146200
 H                 -0.82745500   -2.54939000   -1.38011700
 C                 -0.28052500   -2.79361800    0.70181100
 H                 -0.76043600   -3.08869600    1.64100900
 H                  0.54843000   -3.48723000    0.51958300
 C                 -3.35219000   -1.72103900   -1.27962400
 H                 -3.82798500   -2.67934100   -1.52721200
 H                 -2.77125900   -1.39450500   -2.14599600
 C                 -4.43499700   -0.68536500   -0.94946100
 H                 -5.20928600   -0.77103400   -1.71995500
 H                 -4.92511800   -0.94635700   -0.00039600
 C                 -3.98816300    0.78195300   -0.92056300
 H                 -4.87261200    1.43281800   -0.93359600
 H                 -3.38523500    1.00782600   -1.80370000
 C                  0.26507100    1.38036200    2.49064300
 H                  0.73953700    2.31523500    2.81827900
 H                 -0.43163700    1.07319200    3.27836700
 C                  1.34160000    0.30639400    2.29787400
 H                  1.97396100    0.55121600    1.43742100
 H                  1.99925200    0.35011100    3.17313500
 C                  0.84866100   -1.13843400    2.17217400
 H                  0.11037800   -1.35785700    2.95178900
 H                  1.69640000   -1.82072400    2.31296400
 H                  0.88939600   -1.21256700    0.12496800
 H                  0.08392600    1.94786400    0.52370100
 H                 -2.91453500   -2.24307000    0.65100400
 H                 -3.70793900    0.92172500    1.10381100
 Cl                -0.56934100    0.43682900   -1.86280100
 C                  2.52939900    3.84441800   -1.27666400
 H                  3.14992600    4.61007600   -0.82049200
 H                  2.05756000    4.08038400   -2.22613600
 C                  2.55366500    2.44302000   -0.77561000
 H                  1.60679600    1.93753900   -1.00570900
 H                  2.68914400    2.42981700    0.31399000
 C                  3.69172200    1.58011300   -1.40578000
 H                  4.65730300    2.04206000   -1.17121900
 H                  3.57810900    1.59846100   -2.49533100
 C                  3.65883300    0.15529000   -0.90646600
 C                  2.89255400   -0.81658900   -1.56583600
 C                  4.35368000   -0.21738200    0.25256300
 C                  2.83108500   -2.12749000   -1.08638800
 H                  2.33450800   -0.54150700   -2.45530200
 C                  4.28869600   -1.52409700    0.74144200
 H                  4.95177700    0.52476600    0.77586800
 C                  3.52845500   -2.48594600    0.07164200
 H                  2.24368900   -2.86961200   -1.62046800
 H                  4.83626400   -1.79236500    1.64041300
 H                  3.48385900   -3.50538700    0.44356900

C H N Cl
6-31G(d)
****
Ni
lanl2dz
****

Ni
lanl2dz

eps=43.310
epsinf=1.880














