%nprocshared=8
%mem=22000MB
%chk=NiIMes2_IPh_2001_r2
#p SCRF(SMD,Solvent=TetraHydroFuran) B3LYP/genecp EmpiricalDispersion=GD3 opt freq=noraman nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full

NiIMes2.IPh from NiIIMes2 restart2

0 1
 C                 -0.38791615    0.23061005   -0.01610567
 C                  0.73382985    0.97027805   -0.18699267
 C                  1.29986885   -1.21952295   -0.58613867
 N                 -0.03101315   -1.09351695   -0.25736767
 N                  1.74849185    0.07731805   -0.52710067
 Ni                 2.28380585   -2.77367895   -1.00422767
 C                  3.26087785   -4.30389795   -1.51178667
 N                  4.60198185   -4.57087495   -1.35301867
 N                  2.80104685   -5.43743895   -2.13680767
 C                  4.95334185   -5.81622995   -1.86709767
 C                  3.81750385   -6.36369695   -2.36247067
 H                  5.96735285   -6.18337795   -1.83100767
 H                  3.63035385   -7.30854695   -2.84925767
 H                 -1.39551415    0.51080305    0.24932833
 H                  0.91229185    2.03119405   -0.10246967
 C                  1.44244185   -5.66981895   -2.53860067
 C                  0.63160285   -6.49584395   -1.74403667
 C                  0.98863285   -5.11792095   -3.74583667
 C                 -0.65699215   -6.78363095   -2.20405667
 C                 -0.30981015   -5.42949195   -4.16243067
 C                 -1.14162315   -6.26788395   -3.41155267
 H                 -1.30090415   -7.41726295   -1.59814767
 H                 -0.67960115   -5.00379395   -5.09275567
 C                  5.54738185   -3.66401095   -0.76603667
 C                  5.96429185   -2.55180895   -1.51956067
 C                  6.06390885   -3.93223295    0.51045233
 C                  6.89429285   -1.68263695   -0.94694567
 C                  6.98105085   -3.01987895    1.04925533
 C                  7.39891785   -1.88843895    0.34355033
 H                  7.22683785   -0.82100995   -1.51828567
 H                  7.37605185   -3.20386195    2.04635633
 C                 -0.96736815   -2.18084695   -0.21227567
 C                 -1.42553215   -2.71986295   -1.42803067
 C                 -1.44051715   -2.63700995    1.02734733
 C                 -2.35254215   -3.76157195   -1.37552767
 C                 -2.35444715   -3.69940195    1.02782633
 C                 -2.81593115   -4.27683195   -0.15800467
 H                 -2.71827015   -4.18491395   -2.30645967
 H                 -2.71599115   -4.07636495    1.98240633
 C                  3.08936685    0.50479905   -0.81231067
 C                  3.94438885    0.82163305    0.25551133
 C                  3.48125885    0.65609005   -2.15115367
 C                  5.21302085    1.32395005   -0.04994767
 C                  4.76278685    1.15464405   -2.40715967
 C                  5.63614385    1.50544705   -1.37168367
 H                  5.89002185    1.56960405    0.76529133
 H                  5.08504685    1.26976805   -3.43968667
 C                  1.87022485   -4.19206795   -4.54461367
 H                  2.15792185   -3.32359095   -3.93793867
 H                  2.80139685   -4.68546795   -4.85083067
 H                  1.35707085   -3.83694095   -5.44358667
 C                  1.13055785   -7.03188395   -0.42584267
 H                  2.01998285   -7.66127695   -0.55231767
 H                  1.41189185   -6.21003495    0.24376333
 H                  0.35871885   -7.62848495    0.07015533
 C                 -2.53345715   -6.60685195   -3.88911567
 H                 -2.54854903   -7.57152002   -4.41494622
 H                 -3.23508241   -6.68373145   -3.05133586
 H                 -2.91444653   -5.85159106   -4.58543430
 C                  5.69191585   -5.17554795    1.28210433
 H                  6.41418685   -5.98214295    1.09377133
 H                  5.69223985   -4.97789195    2.35884833
 H                  4.70216885   -5.54389695    1.00692833
 C                  5.41971085   -2.30958095   -2.90394467
 H                  5.52856385   -3.19799795   -3.53849267
 H                  4.34901685   -2.07996295   -2.85514167
 H                  5.93215285   -1.47297995   -3.38705067
 C                  8.34476685   -0.88842695    0.96404933
 H                  8.95574285   -1.34360395    1.75133033
 H                  9.01862785   -0.45337795    0.21695833
 H                  7.78660585   -0.05987595    1.42064233
 C                  3.51801285    0.59609905    1.68411233
 H                  2.62253785    1.17487905    1.94110233
 H                  3.27607285   -0.46029195    1.85252733
 H                  4.31648085    0.87797105    2.37742333
 C                  2.55454985    0.25886905   -3.27156867
 H                  1.60966885    0.81535905   -3.23125967
 H                  3.01670885    0.43470605   -4.24787767
 H                  2.29692885   -0.80526395   -3.19231067
 C                  7.00585085    2.06733005   -1.66995967
 H                  6.99078985    3.16602705   -1.67488067
 H                  7.73797585    1.75795405   -0.91583967
 H                  7.36924385    1.74376005   -2.65163267
 C                 -0.92008415   -2.19127595   -2.74612967
 H                 -1.02675415   -1.10117295   -2.80978467
 H                  0.14690885   -2.41600095   -2.85834667
 H                 -1.46029415   -2.64290895   -3.58287367
 C                 -1.03053115   -1.99118595    2.32913233
 H                 -1.74314215   -1.20453595    2.61381733
 H                 -1.01323615   -2.72783495    3.13864633
 H                 -0.04006815   -1.53677595    2.26507533
 C                 -3.76552315   -5.45027195   -0.13742767
 H                 -4.23420844   -5.57590189    0.84470223
 H                 -4.56096861   -5.33847755   -0.88345855
 H                 -3.23344385   -6.38310673   -0.36841413
 I                  2.34852685   -3.53215295    1.70148533
 C                  2.38905885   -4.12789795    3.87321433
 C                  2.86291485   -5.38928995    4.24843133
 C                  1.93661385   -3.23593395    4.85117033
 C                  2.88288785   -5.75694695    5.59912433
 H                  3.21758485   -6.08735395    3.49292433
 C                  1.95813685   -3.60568195    6.20111333
 H                  1.56632485   -2.25371095    4.56498833
 C                  2.43108385   -4.86632995    6.57752133
 H                  3.25203385   -6.73959895    5.88570333
 H                  1.60447485   -2.90792895    6.95750933
 H                  2.44707885   -5.15274895    7.62608733

 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
****
I     0
S   2   1.00
      0.7242000             -2.9731048
      0.4653000              3.4827643
S   1   1.00
      0.1336000              1.0000000
P   2   1.00
      1.2900000             -0.2092377
      0.3180000              1.1035347
P   1   1.00
      0.1053000              1.0000000
P   1   1.00
      0.0308000              1.0000000
D   1   1.00
      0.2940000              1.0000000
****
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
I     0
I-ECP     3     46
f-ul potential
  5
0      1.0715702             -0.0747621
1     44.1936028            -30.0811224
2     12.9367609            -75.3722721
2      3.1956412            -22.0563758
2      0.8589806             -1.6979585
s-ul potential
  5
0    127.9202670              2.9380036
1     78.6211465             41.2471267
2     36.5146237            287.8680095
2      9.9065681            114.3758506
2      1.9420086             37.6547714
p-ul potential
  5
0     13.0035304              2.2222630
1     76.0331404             39.4090831
2     24.1961684            177.4075002
2      6.4053433             77.9889462
2      1.5851786             25.7547641
d-ul potential
  5
0     40.4278108              7.0524360
1     28.9084375             33.3041635
2     15.6268936            186.9453875
2      4.1442856             71.9688361
2      0.9377235              9.3630657



