%nprocshared=8
%mem=20000MB
%chk=NiClPhIMes2_scanCCl_s13_optts3_ircrev_opt
#p SCRF(SMD,Solvent=TetraHydroFuran) B3LYP/genecp EmpiricalDispersion=GD3 opt freq=noraman nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full

NiClPhIMes2 scan C-Cl, scan 13 optts extend C-Cl by 0.2A irc rev opt

0 1
 C                  1.08778630    1.51399489    0.00000000
 C                  2.07188630    1.78808689   -0.87687100
 C                  1.80728630   -0.51353711   -0.85692900
 N                  0.91764230    0.12911689   -0.00218300
 N                  2.50243930    0.56294189   -1.38461200
 Ni                 2.01481030   -2.40916811   -1.42062200
 C                  3.68994630   -3.56465211   -1.26560900
 N                  4.40230530   -3.88509911   -0.12291800
 N                  4.14192130   -4.53658011   -2.14778600
 C                  5.23056530   -4.99485511   -0.29500600
 C                  5.07022730   -5.39980211   -1.57136100
 H                  5.85419930   -5.36720411    0.50288000
 H                  5.52041130   -6.20559411   -2.13016900
 H                  0.48472930    2.15726889    0.62113900
 H                  2.50915130    2.72151089   -1.19426700
 C                  3.86770230   -4.62096711   -3.55297100
 C                  3.20072830   -5.74070611   -4.07120900
 C                  4.39632930   -3.62261311   -4.39160700
 C                  2.99327430   -5.79705511   -5.45734800
 C                  4.14717830   -3.71166311   -5.76210100
 C                  3.43440930   -4.78552011   -6.31382500
 H                  2.45884630   -6.65032411   -5.86964400
 H                  4.53892030   -2.93715911   -6.41841000
 C                  4.55775430   -3.09769411    1.07009800
 C                  5.47476530   -2.03336511    1.03517500
 C                  3.95520930   -3.51627211    2.26422600
 C                  5.70106030   -1.31908811    2.21557100
 C                  4.23483830   -2.78987211    3.42797300
 C                  5.08191330   -1.67698611    3.42022000
 H                  6.39822830   -0.48403211    2.19968900
 H                  3.76724330   -3.09692411    4.36078200
 C                 -0.18199670   -0.41385411    0.75217100
 C                 -1.49151470   -0.06054011    0.37831500
 C                  0.06784930   -1.16560811    1.90807100
 C                 -2.55061070   -0.51377011    1.17547700
 C                 -1.01841670   -1.59020711    2.67646800
 C                 -2.33661570   -1.28210211    2.32414600
 H                 -3.56800070   -0.25872811    0.88616600
 H                 -0.82822870   -2.18115211    3.57019500
 C                  3.50183330    0.55299989   -2.41611000
 C                  4.81100230    0.94562189   -2.09103200
 C                  3.10518730    0.33855589   -3.74837900
 C                  5.74581430    1.04543989   -3.12945300
 C                  4.07000230    0.46375289   -4.75109800
 C                  5.39603530    0.80638689   -4.46195400
 H                  6.76717630    1.33227989   -2.88791500
 H                  3.77664730    0.29104989   -5.78432900
 C                  5.26471230   -2.52927711   -3.82702200
 H                  4.68661430   -1.83815811   -3.21057900
 H                  6.05144230   -2.94986311   -3.18906300
 H                  5.74120130   -1.96100811   -4.62832300
 C                  2.71922930   -6.87848411   -3.20110800
 H                  3.43818230   -7.70859411   -3.21175000
 H                  2.58443030   -6.58139811   -2.15808800
 H                  1.76573030   -7.27004611   -3.57126900
 C                  3.14442630   -4.83309911   -7.79477200
 H                  2.86005830   -5.83997711   -8.11862800
 H                  2.31734930   -4.15773211   -8.05219600
 H                  4.01300430   -4.51660011   -8.38437000
 C                  3.02219830   -4.69986411    2.29245700
 H                  3.50666030   -5.60641011    1.91048400
 H                  2.67891830   -4.90237111    3.31171000
 H                  2.14281730   -4.51977011    1.66396800
 C                  6.24643430   -1.73315011   -0.22465300
 H                  6.80462130   -2.61823711   -0.55482800
 H                  5.58251130   -1.45065711   -1.04539500
 H                  6.96284930   -0.92430611   -0.06235300
 C                  5.31265030   -0.87201611    4.67646000
 H                  5.19832430   -1.48697711    5.57601200
 H                  6.31330330   -0.42560811    4.69104500
 H                  4.58865630   -0.04901411    4.75134500
 C                  5.19364530    1.32106889   -0.67937800
 H                  4.85607930    2.33784889   -0.44109400
 H                  4.74496730    0.65265989    0.06060600
 H                  6.27974530    1.30137789   -0.55329800
 C                  1.67451530    0.01886289   -4.08251400
 H                  0.99618730    0.79786889   -3.71094800
 H                  1.53400230   -0.07366411   -5.16378300
 H                  1.36766930   -0.91793111   -3.61419100
 C                  6.42825830    0.87494489   -5.56066000
 H                  7.24510830    1.55987889   -5.30772900
 H                  6.87574830   -0.11339311   -5.73673600
 H                  5.98584630    1.20259989   -6.50820400
 C                 -1.77966370    0.77739189   -0.84594000
 H                 -1.09951470    0.53614789   -1.66777800
 H                 -2.80481170    0.60908289   -1.19166300
 H                 -1.67516970    1.84935789   -0.63650200
 C                  1.47366830   -1.51230711    2.29314500
 H                  2.08860630   -0.61598911    2.44147700
 H                  1.49762630   -2.10206811    3.21258500
 H                  1.94924130   -2.08891211    1.49703700
 C                 -3.49390870   -1.79378511    3.14805600
 H                 -4.40019570   -1.20064911    2.98434200
 H                 -3.73063570   -2.83424211    2.88691100
 H                 -3.26245470   -1.77596211    4.21952800
 C                  0.15328730   -3.06955711   -1.54819200
 C                 -0.98482770   -2.31100911   -1.98733500
 C                  0.94098230   -3.80250711   -2.51397400
 C                 -1.19383370   -2.08964111   -3.32605100
 H                 -1.66380170   -1.91641311   -1.24291500
 C                  0.66063630   -3.54758411   -3.90038100
 H                  1.35853330   -4.76671211   -2.25427800
 C                 -0.34760370   -2.70053011   -4.29845200
 H                 -2.02405070   -1.46309311   -3.64461600
 H                  1.23332830   -4.08639511   -4.64732300
 H                 -0.53398670   -2.53223811   -5.35671200
 Cl                -0.11556270   -3.95084811    0.05916300

 Ni     0
S   1   1.00
      7.6200000              1.0000000
S   1   1.00
      2.2940000              1.0000000
S   1   1.00
      0.8760000              1.0000000
S   1   1.00
      0.1153000              1.0000000
S   1   1.00
      0.0396000              1.0000000
P   1   1.00
     23.6600000              1.0000000
P   1   1.00
      2.8930000              1.0000000
P   1   1.00
      0.9435000              1.0000000
P   1   1.00
      0.0840000              1.0000000
P   1   1.00
      0.0240000              1.0000000
D   3   1.00
     42.7200000              0.0372699
     11.7600000              0.1956103
      3.8170000              0.4561273
D   1   1.00
      1.1690000              1.0000000
D   1   1.00
      0.2836000              1.0000000
F   1   1.00
      3.1300000              1.0000000
****
Cl N C H 0
6-31G*
****

Ni     0
Ni-ECP     2     10
d-ul potential
  3
1    469.9324331            -10.0000000
2     85.4236411            -69.4084805
2     21.2674984            -12.0951020
s-ul potential
  4
0    162.1686097              3.0000000
1    176.5333232             22.0253618
2     68.9562010            443.0181088
2     13.5792838            145.5696411
p-ul potential
  4
0     69.0181506              5.0000000
1    275.5955596              4.9882824
2     47.1315453            256.6945853
2     12.9874075             78.4754450




