%nprocshared=36
%mem=185GB
%chk=SN2_adct.chk
#p opt freq b3lyp/genecp scrf=(solvent=generic,read,pcm)
empiricaldispersion=gd3bj

SN2_adct

1 2
 Ni                -1.02236300    0.97763000    0.20947100
 N                  0.94145000    1.45820200    0.77037400
 N                 -1.25237600    0.41484900    2.21282900
 N                 -3.01346800    0.59195000   -0.30787000
 N                 -0.81238100    1.59745700   -1.78447000
 C                 -3.04771900    0.56880300   -1.78272600
 H                 -2.64651400   -0.39740400   -2.10771800
 H                 -4.07038800    0.65037700   -2.17721500
 C                 -2.18390400    1.70644800   -2.32471400
 H                 -2.59283200    2.66608300   -1.98946800
 H                 -2.19768700    1.70702400   -3.42301700
 C                  0.11119700    0.29628500    2.76195500
 H                  0.11674500    0.27580500    3.86074400
 H                  0.53314800   -0.65064400    2.41002900
 C                  0.95363600    1.46091500    2.24653500
 H                  0.51529700    2.40795600    2.58125700
 H                  1.97307000    1.40395700    2.64846100
 C                 -2.10211800   -0.77344900    2.41707800
 H                 -2.17270200   -1.01859800    3.48787600
 H                 -1.61617600   -1.61958300    1.91949200
 C                 -3.51243800   -0.57382800    1.85091200
 H                 -4.14204900   -1.38422000    2.23595000
 H                 -3.94122800    0.35706200    2.24979600
 C                 -3.63268900   -0.58964400    0.32395400
 H                 -4.69529100   -0.66138500    0.04577300
 H                 -3.13083500   -1.47555400   -0.07419500
 C                 -0.01446000    2.82905000   -1.95214800
 H                  0.06658300    3.09287900   -3.01751000
 H                 -0.55922600    3.64025400   -1.45645900
 C                  1.38797200    2.70267200   -1.35260300
 H                  1.88001000    1.80346800   -1.74441000
 H                  1.97931500    3.55274400   -1.71240700
 C                  1.46291700    2.70399400    0.17666200
 H                  0.86814600    3.53381300    0.57525100
 H                  2.50518400    2.86734000    0.48793600
 H                  1.53640400    0.69140400    0.45380600
 H                 -0.33191900    0.84501200   -2.28007800
 H                 -1.70793800    1.20836300    2.66701300
 H                 -3.52133900    1.42067300    0.00733400
 C                 -0.16497600   -2.34668700   -1.05037100
 H                  0.00649600   -1.67092000   -0.21193000
 C                  1.09366000   -3.05524200   -1.52431100
 H                  1.44057100   -3.75194300   -0.75447900
 H                  0.84990200   -3.65912400   -2.40417900
 C                  2.20917700   -2.06789800   -1.89423000
 H                  2.99704400   -2.63402100   -2.40885000
 H                  1.83332600   -1.35019300   -2.63508900
 C                  2.84711300   -1.30167800   -0.74874300
 C                  3.62556700   -0.17075900   -1.04236000
 C                  2.73985900   -1.69756800    0.59155100
 C                  4.28063200    0.53898600   -0.03561500
 H                  3.72273500    0.15065400   -2.07637900
 C                  3.39430500   -0.98920000    1.60457200
 H                  2.14765900   -2.56619400    0.86030900
 C                  4.16759200    0.13082300    1.29640800
 H                  4.87438800    1.41176500   -0.29062100
 H                  3.29331900   -1.31463400    2.63581700
 H                  4.67211700    0.68230600    2.08379800
 Cl                -1.40892100   -3.55702500   -0.47424600
 H                 -0.64201300   -1.78808800   -1.85651700

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

Ni
lanl2dz

eps=43.310
epsinf=1.880










