%nprocshared=8
%mem=20GB
#p ub3lyp/genecp scrf=(smd,solvent=thf) nosymm scf=xqc EmpiricalDispersion=GD3 Int=Grid=UltraFine

Cobalt Psyn, added colH and Cl nearby

1 4
 Co                 1.30794000    0.05985300   -0.53991400
 P                 -1.12520300    0.01775300    0.09766900
 P                  1.50333900    0.55393500   -2.96598500
 C                 -1.36688300    0.99727200    1.62714100
 C                 -1.62954900    0.37722400    2.85869900
 C                 -1.18835500    2.39087800    1.58502500
 C                 -1.73744300    1.14427900    4.02203100
 H                 -1.76359200   -0.69833500    2.91466300
 C                 -1.30304500    3.15190400    2.74761800
 C                 -1.58342000    2.53104100    3.96828200
 H                 -1.94642800    0.65353400    4.96844000
 H                 -1.16716400    4.22855800    2.70089300
 H                 -1.66890900    3.12433600    4.87411300
 C                  0.66021100    2.14783600   -3.27183100
 C                  0.33472200    2.56681500   -4.57231700
 C                  0.29683500    2.94340100   -2.17538000
 C                 -0.33355900    3.77484500   -4.76873900
 H                  0.59573400    1.94688000   -5.42551300
 C                 -0.37716000    4.14912500   -2.37634500
 C                 -0.69141400    4.56520600   -3.67185000
 H                 -0.58365500    4.09470700   -5.77627500
 H                 -0.66555300    4.75549200   -1.52295300
 H                 -1.22187300    5.50039600   -3.82768000
 C                 -2.21148600    0.77908400   -1.16576600
 C                 -3.15774900    1.78304600   -0.92540600
 C                 -2.04272900    0.31877500   -2.48317700
 C                 -3.87563000    2.34609700   -1.98220600
 H                 -3.32433400    2.13827400    0.08564300
 C                 -2.74002800    0.88006200   -3.54895100
 C                 -3.65321800    1.90433300   -3.28805700
 H                 -4.60059400    3.12994600   -1.78515200
 H                 -2.57456900    0.52598900   -4.56021600
 H                 -4.19699600    2.35124400   -4.11520500
 C                 -1.91035700   -1.60317300    0.42660500
 C                 -1.15108500   -2.77921400    0.40173600
 C                 -3.28766500   -1.67221900    0.69669500
 C                 -1.75531000   -4.01309100    0.65578500
 H                 -0.09364000   -2.73794000    0.17148200
 C                 -3.88735100   -2.90434500    0.95190300
 H                 -3.88629000   -0.76558700    0.70627300
 C                 -3.12180600   -4.07552000    0.93384400
 H                 -1.15857400   -4.92061500    0.63285500
 H                 -4.95208300   -2.95195300    1.16247300
 H                 -3.59324700   -5.03427600    1.13121200
 C                  0.68929400   -0.60546700   -4.13649200
 C                 -0.59688300   -1.07865800   -3.83195500
 C                  1.28044700   -1.02292900   -5.33797800
 C                 -1.27973300   -1.94755900   -4.67716500
 C                  0.60109700   -1.88729000   -6.19924100
 H                  2.27316200   -0.67335200   -5.60165700
 C                 -0.67505700   -2.34940800   -5.87031700
 H                 -2.26717900   -2.29781200   -4.39388300
 H                  1.07283400   -2.20040400   -7.12572800
 H                 -1.20087000   -3.02624700   -6.53709800
 C                  3.21219400    0.71072600   -3.59370000
 C                  3.68878100    1.86917100   -4.22389800
 C                  4.08157000   -0.37586500   -3.38828800
 C                  5.01888700    1.93465700   -4.64603300
 H                  3.03470700    2.72023000   -4.38187300
 C                  5.40704200   -0.30464000   -3.81477100
 H                  3.72348500   -1.27854700   -2.90014900
 C                  5.87761200    0.85273800   -4.44286800
 H                  5.38305700    2.83674000   -5.12977000
 H                  6.07405800   -1.14467100   -3.64609200
 H                  6.91341300    0.91125300   -4.76412500
 C                  2.39257500    0.84168700    1.85419700
 O                  2.27198600    1.30716100    0.51593200
 C                  2.55733700   -2.00808000   -0.11574800
 H                  3.44897100   -1.81195900   -0.70132600
 H                  1.86606700   -2.73623500   -0.53408700
 C                  2.36499300   -1.51000000    1.12841700
 H                  1.45988800   -1.81309400    1.65391700
 C                  3.24427200   -0.51147600    1.88169900
 C                  3.37013500   -1.01255100    3.33064600
 C                  4.61109600   -1.31710000    3.90850400
 C                  2.21663400   -1.18770100    4.11805500
 C                  4.69484200   -1.77740900    5.22538900
 H                  5.52127800   -1.16435900    3.34365100
 C                  2.29971200   -1.64350200    5.43369000
 H                  1.23387300   -0.96162800    3.71297200
 C                  3.54296800   -1.94293800    5.99534800
 H                  5.67073400   -2.00213300    5.64808800
 H                  1.39069500   -1.76475300    6.01736100
 H                  3.61185200   -2.29881900    7.01987300
 C                  4.57822500   -0.40192400    1.12105100
 H                  5.00742700   -1.41159600    1.04500700
 H                  4.35252200   -0.06678300    0.10102200
 O                  5.49771900    0.48360200    1.72605500
 H                  6.34738900    0.35983600    1.23506300
 C                  2.80112300    1.96933900    2.79426900
 C                  1.94459600    2.27227400    3.86137400
 C                  3.92432100    2.78288300    2.59097900
 C                  2.19365200    3.35770300    4.70419000
 H                  1.06477900    1.65984000    4.02908400
 C                  4.17257200    3.87384900    3.42503800
 H                  4.62164800    2.54365400    1.80168400
 C                  3.30820100    4.16921000    4.48397900
 H                  1.51205500    3.57093200    5.52373800
 H                  5.04964800    4.49154500    3.24871100
 H                  3.50668000    5.01866400    5.13247100
 H                  1.39358900    0.54437200    2.19777000
 H                  0.52264900    2.61824600   -1.16358400
 H                 -0.97938400    2.88476700    0.64106600
 O                 -1.15382200   -0.73146900   -2.60896900
 C                  4.47141500    3.60627000   -1.16422400
 C                  4.82008000    4.76016300   -1.84888100
 C                  4.03285400    5.91780600   -1.74746600
 C                  2.91398300    5.88708100   -0.90613900
 C                  2.57987700    4.72679600   -0.22136600
 H                  5.71579800    4.75420600   -2.46030900
 H                  2.29995800    6.77101600   -0.77076400
 C                  1.45281300    4.63199500    0.75900400
 H                  1.16217900    3.59559500    0.92736700
 H                  1.77640500    5.03871500    1.72513500
 H                  0.59223500    5.21359500    0.41895400
 C                  5.26709400    2.34276100   -1.17843500
 H                  4.67190300    1.51006200   -1.55915200
 H                  6.14894700    2.45130700   -1.80917100
 H                  5.59141100    2.07396200   -0.16835700
 C                  4.38558700    7.15310800   -2.52566200
 H                  3.88104800    8.03828000   -2.12843500
 H                  5.46670100    7.32705400   -2.52057200
 H                  4.08134000    7.03301100   -3.57388600
 N                  3.34422000    3.62529800   -0.40689100
 H                  3.02592000    2.72733000    0.03632300
 Cl                 8.00215300   -0.09945400   -0.05705300

-C -H 0
cc-pvtz
****
-O -N -P -Cl 0
aug-cc-pvtz
****
-Co     0
S    1   1.00
      7.1760000              1.0000000
S    1   1.00
      2.0090000              1.0000000
S    1   1.00
      0.8055000              1.0000000
S    1   1.00
      0.1070000              1.0000000
S    1   1.00
      0.0375000              1.0000000
P    1   1.00
     21.3900000              1.0000000
P    1   1.00
      2.6500000              1.0000000
P    1   1.00
      0.8619000              1.0000000
P    1   1.00
      0.0800000              1.0000000
P    1   1.00
      0.0230000              1.0000000
D    3   1.00
     39.2500000              0.0361541
     10.7800000              0.1896744
      3.4960000              0.4524981
D    1   1.00
      1.0660000              1.0000000
D    1   1.00
      0.2606000              1.0000000
****

-CO     0
CO-ECP     2     10
d potential
  3
1    434.1076104            -10.0000000
2     78.8402758            -66.7240276
2     19.6037749            -11.7192243
s-d potential
  4
0    151.2307582              3.0000000
1    169.6790026             20.1553110
2     64.9909423            413.3762244
2     12.5076287            133.8727705
p-d potential
  4
0     92.7319924              5.0000000
1    121.1910183              6.1892353
2     48.6265909            326.3215919
2     11.9966971             73.8788970

