%nprocshared=24
%mem=115GB
%chk=CHAA_adct.chk
#p opt freq b3lyp/genecp scrf=(solvent=generic,read,pcm)
empiricaldispersion=gd3bj

CHAA_adct

1 2
 Ni                -2.24986800    0.13136300    0.46085000
 N                 -0.81508700    1.46900400    1.20577300
 N                 -1.46393200   -1.20257000    1.87280500
 N                 -3.66596900   -1.20180500   -0.30975000
 N                 -3.00156300    1.47077700   -0.96493800
 C                 -4.11144000   -0.62021300   -1.59185900
 H                 -3.33565200   -0.83150500   -2.33575800
 H                 -5.04762100   -1.07086000   -1.94900200
 C                 -4.27533600    0.89041900   -1.43235600
 H                 -5.03446600    1.10266100   -0.67132300
 H                 -4.61557200    1.33928600   -2.37580200
 C                 -0.17574600   -0.62354900    2.30252100
 H                  0.19310800   -1.07664800    3.23303300
 H                  0.55630300   -0.83373800    1.51560300
 C                 -0.33055700    0.88681500    2.47126000
 H                 -1.07965000    1.09973700    3.24224900
 H                  0.61895000    1.33313600    2.79832400
 C                 -1.36169400   -2.60071900    1.41177800
 H                 -0.97466700   -3.24418200    2.21640000
 H                 -0.63201200   -2.62042600    0.59561800
 C                 -2.70294200   -3.15385700    0.92024100
 H                 -2.59033100   -4.23816700    0.80566800
 H                 -3.47187600   -3.00948500    1.69277900
 C                 -3.20068200   -2.59863200   -0.41797200
 H                 -4.00483500   -3.24310300   -0.80406400
 H                 -2.38662900   -2.61518400   -1.15037700
 C                 -3.10953000    2.86821100   -0.50434800
 H                 -3.49866400    3.51081500   -1.30875000
 H                 -3.84021500    2.88970500    0.31209500
 C                 -1.76853400    3.42582900   -0.01632300
 H                 -1.00393800    3.28415100   -0.79351700
 H                 -1.88407300    4.50953700    0.09980000
 C                 -1.25782900    2.87030200    1.31692100
 H                 -2.05902700    2.90392700    2.06405600
 H                 -0.43992600    3.50791600    1.68612200
 H                 -0.05811400    1.42381900    0.52175200
 H                 -2.33483400    1.44362200   -1.73846600
 H                 -2.10673100   -1.17629300    2.66632000
 H                 -4.45319400   -1.18024000    0.34087400
 Cl                -0.13051300   -0.50050200   -1.55372000
 C                  1.54156800   -0.78059400   -2.27395800
 H                  1.58653000   -0.16992800   -3.17697500
 H                  1.57666100   -1.83689000   -2.54502200
 C                  2.61314000   -0.40540400   -1.26622500
 H                  2.48512900   -0.99996900   -0.35427500
 H                  2.50144300    0.64805400   -0.98452700
 C                  4.02736100   -0.63776900   -1.83497900
 H                  4.15098300   -0.04541500   -2.74950200
 H                  4.13405100   -1.69216600   -2.11695600
 C                  5.09065200   -0.26201700   -0.82871400
 C                  5.54860400   -1.19635900    0.10971800
 C                  5.60019100    1.04212400   -0.77960000
 C                  6.49352100   -0.83831200    1.07295100
 H                  5.16264800   -2.21274600    0.08177200
 C                  6.54537800    1.40514900    0.18168600
 H                  5.25447400    1.77672400   -1.50316500
 C                  6.99501100    0.46505400    1.11201200
 H                  6.84053200   -1.57727700    1.78993700
 H                  6.93277000    2.42007400    0.20184500
 H                  7.73252000    0.74469700    1.85891000

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

Ni
lanl2dz

eps=43.310
epsinf=1.880






