%mem=80GB
%nprocshared=24
%chk=BS1-Ni_II_dtbbpy_PhCl_K3PO4-THF-TS1-C1-t1.chk
#P UB3LYP/GenECP OPT=(TS,CalcFC,NoEigen,MaxCycle=100) Freq=NoRaman SCRF=(SMD,Solvent=THF) EmpiricalDispersion=GD3BJ 

Ni(II)(dtbbpy)(Ph)(Cl)(THF)(K3PO4)

0 1
Ni     0.218403    -0.570180     0.017249
 C    -2.629843    -0.688861    -0.163623
 C    -1.633421    -2.610170     0.678464
 C    -3.892633    -1.274700    -0.034538
 C    -2.859011    -3.235389     0.835801
 H    -0.708452    -3.107012     0.948680
 C    -4.040027    -2.565441     0.476409
 H    -4.755203    -0.708875    -0.358896
 H    -2.882473    -4.242384     1.236316
 C    -2.440249     0.682878    -0.692869
 C    -3.418733     1.668436    -0.566747
 C    -3.170006     2.967274    -1.038217
 H    -4.355135     1.436847    -0.072551
 C    -0.986612     2.155260    -1.701316
 C    -1.917541     3.194592    -1.617661
 H     0.019289     2.298966    -2.092491
 H    -1.642163     4.171578    -1.995903
 C    -0.054386     0.351326     1.672255
 C    -0.171703    -0.337927     2.895285
 C    -0.023663     1.758830     1.735302
 C    -0.215287     0.335685     4.125375
 C    -0.079119     2.444751     2.955837
 C    -0.163243     1.733778     4.159466
 H    -0.290960    -0.229146     5.052593
 H    -0.047310     3.532464     2.967448
 N    -1.512029    -1.361100     0.192323
 N    -1.240426     0.922456    -1.254295
 H     0.068093     2.334829     0.818353
 H    -0.198328     2.262053     5.108987
 H    -0.219984    -1.426278     2.899970
 C    -5.398936    -3.246436     0.643634
 C    -4.234890     4.055775    -0.879116
 C    -6.558950    -2.351808     0.181267
 H    -6.610002    -1.421141     0.757728
 H    -6.477365    -2.096130    -0.881243
 H    -7.506258    -2.882774     0.323307
 C    -5.414712    -4.546584    -0.188721
 H    -5.264468    -4.332749    -1.253166
 H    -4.633548    -5.243503     0.131628
 H    -6.381637    -5.049938    -0.074434
 C    -5.600961    -3.587277     2.136191
 H    -4.823008    -4.262624     2.507268
 H    -5.585693    -2.680118     2.751149
 H    -6.569834    -4.079975     2.277635
 C    -4.529172     4.251470     0.623946
 H    -4.908702     3.334800     1.087388
 H    -3.623895     4.553035     1.163328
 H    -5.285000     5.034219     0.759250
 C    -5.524252     3.612501    -1.603111
 H    -5.341535     3.464931    -2.673823
 H    -5.919343     2.676281    -1.194852
 H    -6.299303     4.379928    -1.492065
 C    -3.780499     5.400000    -1.468025
 H    -2.884044     5.781253    -0.966486
 H    -3.567952     5.322976    -2.540267
 H    -4.575469     6.142643    -1.338428
 P     2.978138     1.151186    -1.003383
 O     4.201912     0.390305    -1.588463
 O     3.404896     2.008335     0.216124
 O     2.045655     1.793075    -2.010929
 O     2.127645    -0.155889    -0.246063
 O     1.712472    -2.861999    -1.604401
 C     1.876938    -3.430937    -2.907089
 C     1.953002    -2.225824    -3.846688
 C     0.977656    -1.215187    -3.195270
 C     0.735404    -1.772704    -1.764247
 H     2.775598    -4.059206    -2.901441
 H     1.685902    -2.484786    -4.876265
 H     2.972875    -1.822513    -3.854513
 H     0.029891    -1.160949    -3.742053
 H     1.402074    -0.207429    -3.165579
 H    -0.254977    -2.238852    -1.737442
 H     1.575459    -0.825577    -1.018863
 K     5.966747     1.464966     0.007589
 K     4.086385    -2.015659    -0.591628
Cl     5.541786    -0.930456     1.935815
 K     2.871703     0.600987     2.312460
 H     1.008918    -4.065377    -3.149678

H C N O P Cl K 0
6-31G*
****
Ni 0
SDD
****

Ni 0
SDD


