%nprocshared=24
%mem=120GB
#p opt=(maxstep=3) freq=(NoRaman) ub3lyp/genecp scrf=(smd,solvent=thf) nosymm scf=xqc EmpiricalDispersion=GD3 Int=Grid=UltraFine

Cobalt PsynH, added col and Cl nearby

1 4
 Co                 1.44505400    0.09941100   -0.60674800
 P                 -0.91135600   -0.00298200    0.14965400
 P                  1.49760800    0.64323500   -3.05633000
 C                 -1.08224400    0.87149500    1.74709400
 C                 -1.47916200    0.24518900    2.93720200
 C                 -0.68905300    2.22138700    1.77858100
 C                 -1.49498100    0.96654900    4.13521000
 H                 -1.77720400   -0.79766300    2.93905300
 C                 -0.71598600    2.93885600    2.97188200
 C                 -1.12035400    2.31117900    4.15494500
 H                 -1.80401300    0.47238500    5.05193500
 H                 -0.40532700    3.97958600    2.98176400
 H                 -1.13214700    2.86645200    5.08840200
 C                  0.65220900    2.24810200   -3.29926300
 C                  0.31092500    2.69803900   -4.58585300
 C                  0.29026800    3.01197900   -2.17856600
 C                 -0.36221400    3.90781500   -4.74815400
 H                  0.56121100    2.09873800   -5.45651400
 C                 -0.39543300    4.21626600   -2.34688000
 C                 -0.71654200    4.66672700   -3.62882000
 H                 -0.62136400    4.25120700   -5.74551100
 H                 -0.69508400    4.79606000   -1.47939100
 H                 -1.25366600    5.60237200   -3.75556200
 C                 -2.06679200    0.82611200   -0.99583500
 C                 -2.93772200    1.86911400   -0.66134200
 C                 -1.99718100    0.40371200   -2.33381800
 C                 -3.69553500    2.49414000   -1.65365000
 H                 -3.01199800    2.20423800    0.36800000
 C                 -2.73707000    1.02393600   -3.33526300
 C                 -3.58323600    2.07872600   -2.98268100
 H                 -4.36516600    3.30697600   -1.38994800
 H                 -2.65182900    0.69634500   -4.36535200
 H                 -4.15995400    2.57407800   -3.75823500
 C                 -1.56306100   -1.69291700    0.36758000
 C                 -0.73693200   -2.78302100    0.06283300
 C                 -2.88261100   -1.91633900    0.79314100
 C                 -1.21320600   -4.08753600    0.20747300
 H                  0.26727400   -2.61086500   -0.31099800
 C                 -3.35423700   -3.22072700    0.93929100
 H                 -3.53475700   -1.07480400    1.00985800
 C                 -2.51951500   -4.30583600    0.65146800
 H                 -0.56866400   -4.92853600   -0.03192600
 H                 -4.37406200   -3.39044600    1.27266400
 H                 -2.89141100   -5.32015500    0.76515800
 C                  0.59337500   -0.49983500   -4.18376700
 C                 -0.66815500   -0.98293200   -3.80240000
 C                  1.09671700   -0.89172600   -5.43389800
 C                 -1.40832400   -1.83598400   -4.61450100
 C                  0.35864400   -1.73896100   -6.26318300
 H                  2.06740600   -0.53623200   -5.76222200
 C                 -0.89024000   -2.21218200   -5.85522900
 H                 -2.37247500   -2.19324500   -4.26715600
 H                  0.76379900   -2.03078400   -7.22738600
 H                 -1.46149000   -2.87616200   -6.49699500
 C                  3.15215700    0.75845000   -3.82730500
 C                  3.58594500    1.87630300   -4.55204800
 C                  4.00731300   -0.34791500   -3.68050200
 C                  4.86033700    1.88378700   -5.12614700
 H                  2.94148800    2.74028300   -4.67181100
 C                  5.27744900   -0.33482200   -4.25439600
 H                  3.67555900   -1.22631300   -3.13409800
 C                  5.70661300    0.78290600   -4.97821500
 H                  5.18802200    2.75261400   -5.69020500
 H                  5.93018200   -1.19530300   -4.13881200
 H                  6.69627600    0.79271500   -5.42580900
 C                  2.53197000    0.81767100    1.81578300
 O                  2.48422400    1.26744300    0.48403000
 C                  3.02318800   -1.74055600   -0.35078600
 H                  3.90019500   -1.26529700   -0.77557000
 H                  2.52060200   -2.47926600   -0.97283300
 C                  2.64090800   -1.56229700    0.93354100
 H                  1.79243600   -2.14039300    1.28769200
 C                  3.29077900   -0.61490100    1.92822600
 C                  3.02862500   -1.09760800    3.35808200
 C                  4.05348300   -1.11864400    4.35418600
 C                  1.73592300   -1.42393900    3.77136200
 C                  3.74980900   -1.39734300    5.71622000
 H                  5.04451700   -0.75093000    4.12454800
 C                  1.45017700   -1.71793100    5.11110700
 H                  0.90930600   -1.41715000    3.06849800
 C                  2.45596300   -1.69692500    6.09302600
 H                  4.55617900   -1.37516500    6.44180100
 H                  0.42708900   -1.95095700    5.39207900
 H                  2.21481600   -1.91313600    7.12865300
 C                  4.78351200   -0.40469700    1.57028900
 H                  4.82003000    0.19015600    0.65508100
 H                  5.26742600    0.19717800    2.34793900
 O                  5.51103400   -1.58710300    1.29907300
 H                  5.44258000   -2.18548100    2.06633900
 C                  3.12165800    1.86850800    2.74642200
 C                  2.51835300    2.09095400    3.99231900
 C                  4.23981400    2.63884300    2.39529400
 C                  3.01636000    3.05969600    4.86635500
 H                  1.64696600    1.50866300    4.27347000
 C                  4.73487400    3.61312700    3.26379300
 H                  4.73885100    2.47396100    1.44738900
 C                  4.12447800    3.82774400    4.50273200
 H                  2.53054400    3.21848900    5.82538300
 H                  5.60128700    4.20131600    2.97342700
 H                  4.51057000    4.58631400    5.17802400
 H                  1.51500800    0.62086300    2.17176000
 H                  0.52001900    2.65529700   -1.17556400
 H                 -0.35229700    2.70598400    0.86828100
 O                 -1.14521000   -0.66469600   -2.53979600
 C                  4.20070500    3.51781100   -1.47967600
 C                  4.45708800    4.58333800   -2.32846900
 C                  3.73855200    5.78170100   -2.20349700
 C                  2.78993600    5.88393100   -1.17613900
 C                  2.53351300    4.80461500   -0.34334300
 H                  5.22490700    4.47617400   -3.08680200
 H                  2.24065500    6.80710500   -1.02368000
 C                  1.53878300    4.83202300    0.77723400
 H                  1.66637400    3.97959000    1.44677600
 H                  1.66097100    5.75215200    1.35698600
 H                  0.51650300    4.82405100    0.38635600
 C                  4.96307700    2.23017800   -1.48341200
 H                  4.29997200    1.38269100   -1.30067700
 H                  5.48101300    2.08849200   -2.43191700
 H                  5.71257200    2.24602200   -0.68124200
 C                  3.96414500    6.92290300   -3.15262700
 H                  3.92475900    7.88535100   -2.63238800
 H                  4.92332400    6.83441600   -3.67021400
 H                  3.17048100    6.92975400   -3.91191800
 N                  3.22384000    3.65762600   -0.54858200
 H                  2.96599500    2.80571300    0.00534300
 Cl                 4.97979800   -3.50682700    3.86161000

-C -P -O -H -N 0
6-31g(d)
****
-Cl
6-31+g(d)
****
-Co 0
LANL2DZ
****

-Co 0
LANL2DZ

