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

Cobalt - Panti ColH with Cl

1 4
 Co                 1.06777700    0.19041600   -0.66256700
 P                 -1.24114400    0.27038300    0.14657100
 P                  1.19340300    0.61802700   -3.05187800
 C                 -1.49485000    1.50975800    1.46290700
 C                 -2.63064100    1.48076400    2.29104600
 C                 -0.50649600    2.48517100    1.66913900
 C                 -2.77908200    2.42966300    3.30215600
 H                 -3.38964200    0.71636900    2.14927400
 C                 -0.65922900    3.42872500    2.68807100
 C                 -1.79420200    3.40391100    3.50101600
 H                 -3.65869900    2.40535800    3.93937500
 H                  0.11690700    4.17107100    2.85175200
 H                 -1.90936700    4.13580600    4.29585600
 C                  0.21776500    2.10259000   -3.49007500
 C                 -0.11715200    2.39141300   -4.82298900
 C                 -0.21761200    2.95375100   -2.46392800
 C                 -0.88111100    3.51917400   -5.11982000
 H                  0.21242000    1.73382400   -5.62281000
 C                 -0.98395000    4.08110500   -2.76580300
 C                 -1.31663100    4.36282200   -4.09219900
 H                 -1.14101000    3.73838300   -6.15166400
 H                 -1.32649700    4.72916600   -1.96414400
 H                 -1.91832500    5.23656900   -4.32687000
 C                 -2.43079300    0.64271200   -1.18718100
 C                 -3.42321900    1.62652100   -1.08463000
 C                 -2.24186000    0.00525700   -2.42625000
 C                 -4.19775800    1.97164900   -2.19230300
 H                 -3.57563700    2.14084000   -0.14163600
 C                 -3.00322000    0.34590800   -3.54158300
 C                 -3.98006200    1.33587300   -3.41599100
 H                 -4.95859900    2.74079400   -2.10147000
 H                 -2.83387700   -0.14607900   -4.49254600
 H                 -4.57038000    1.60893700   -4.28585300
 C                 -1.74323900   -1.32185600    0.90363500
 C                 -1.12621000   -1.69810300    2.11048500
 C                 -2.64508200   -2.19904800    0.28745900
 C                 -1.40692400   -2.93638300    2.68650800
 H                 -0.43459100   -1.02042100    2.60587300
 C                 -2.92124300   -3.43967300    0.86873800
 H                 -3.13920600   -1.91946800   -0.63740600
 C                 -2.30234000   -3.81203900    2.06375700
 H                 -0.92737900   -3.21686100    3.62024700
 H                 -3.62520800   -4.11246100    0.38673200
 H                 -2.51863900   -4.77783100    2.51173100
 C                  0.48439400   -0.72600000   -4.08786100
 C                 -0.68741800   -1.36654000   -3.64932300
 C                  1.05142900   -1.15456500   -5.29817400
 C                 -1.25908900   -2.41901300   -4.35736800
 C                  0.47649300   -2.19818700   -6.02615000
 H                  1.95105800   -0.67746400   -5.67151600
 C                 -0.67208700   -2.83612000   -5.55349200
 H                 -2.15618200   -2.89082700   -3.96934600
 H                  0.93134100   -2.51406500   -6.96017700
 H                 -1.11540200   -3.65450700   -6.11276800
 C                  2.88345200    0.90458700   -3.69541200
 C                  3.32221800    2.19767500   -4.01761300
 C                  3.78516100   -0.17090700   -3.77845100
 C                  4.64015800    2.40706600   -4.43038300
 H                  2.64076500    3.04008100   -3.95445600
 C                  5.09556600    0.04297200   -4.20421100
 H                  3.46201500   -1.17741800   -3.52931500
 C                  5.52631200    1.33253300   -4.53064900
 H                  4.96872900    3.41190100   -4.68071100
 H                  5.78184100   -0.79629500   -4.27074500
 H                  6.54901100    1.49783600   -4.85786300
 C                  2.44033500    0.61546900    1.64725800
 O                  2.17317900    1.21736700    0.41129200
 C                  2.32552300   -1.91101700   -0.73310700
 H                  3.20851600   -1.65342800   -1.30764900
 H                  1.56596800   -2.51160100   -1.23049800
 C                  2.21048700   -1.62241200    0.58168800
 H                  1.31527400   -1.97308700    1.09614700
 C                  3.15792100   -0.81633100    1.46227600
 C                  3.20929300    1.56414800    2.55140500
 C                  2.93696700    1.60135000    3.92547200
 C                  4.18481800    2.42532500    2.03179500
 C                  3.64312100    2.46066500    4.77105400
 H                  2.16369500    0.95589200    4.33560400
 C                  4.89037600    3.28611900    2.87391900
 H                  4.38205500    2.41928800    0.96612900
 C                  4.62595400    3.30373100    4.24692100
 H                  3.41927000    2.47652700    5.83465900
 H                  5.64666300    3.94652800    2.45703500
 H                  5.17556400    3.97559800    4.90108500
 H                  1.49056000    0.38142900    2.16023100
 H                  0.02561600    2.73245900   -1.42832600
 H                  0.39535800    2.47919000    1.06304900
 O                 -1.26455400   -0.97940600   -2.44324100
 C                  4.57247000   -0.67837100    0.88204600
 C                  5.68243200   -1.27274900    1.50595400
 C                  4.81078500    0.06383400   -0.29049300
 C                  6.97317500   -1.11715200    0.99440700
 H                  5.54619300   -1.88794200    2.38612200
 C                  6.10044000    0.22291200   -0.80099700
 H                  3.98366200    0.54777800   -0.79217500
 C                  7.19200600   -0.36478300   -0.16013700
 H                  7.80836400   -1.59096000    1.50426700
 H                  6.24349800    0.80830500   -1.70451400
 H                  8.19661300   -0.24252800   -0.55691900
 C                  3.13997400   -1.49928700    2.84598800
 H                  3.85263800   -1.00418300    3.51715800
 H                  2.13706400   -1.38022500    3.28274400
 O                  3.44163200   -2.88553800    2.68824200
 H                  3.45116400   -3.28414000    3.57436400
 C                  3.93626800    4.65723400   -1.61212700
 C                  1.78876800    5.43937300   -0.87076700
 C                  1.66765900    6.20438700   -2.01836700
 C                  2.67670600    6.20276500   -2.99158100
 H                  2.98056700    4.08597700    0.10288600
 H                  0.77431100    6.80361400   -2.15417000
 C                  2.50898000    6.98946200   -4.25706200
 H                  1.72098600    6.53192700   -4.87002800
 H                  2.19319300    8.01586100   -4.03955300
 H                  3.43067500    7.01723800   -4.84401900
 C                  5.10830000    3.78792300   -1.29244400
 H                  5.87747300    3.88987300   -2.05914800
 H                  5.53858000    4.05772300   -0.32139300
 H                  4.80328500    2.73862100   -1.24868900
 C                  0.75187900    5.38601200    0.20393700
 H                  0.04309200    4.57359000    0.01474100
 H                  1.20882000    5.21914900    1.18290400
 H                  0.19029200    6.32287900    0.23175500
 H                  4.63972200    5.42756400   -3.47004500
 N                  2.90663300    4.67958400   -0.72515300
 C                  3.82429600    5.43286800   -2.75527200
 Cl                 3.57489122   -4.20953123    5.22945735

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

-Co 0
LANL2DZ

