%nprocshared=12
%mem=24GB
#p genecp scrf=(smd,solvent=dichloromethane) nosymm pop=full
empiricaldispersion=gd3 gfinput gfprint m06 scf=(maxcyc=400,xqc)

q-Co-ppySCF3-+_bs2

1 4
 27	 0.168385000	 0.089291000	-0.477910000
 7	-0.133437000	 1.971517000	-1.080201000
 6	-1.042248000	 2.158098000	-2.050173000
 1	-1.594242000	 1.272139000	-2.367610000
 6	-1.270662000	 3.398309000	-2.619813000
 1	-2.020612000	 3.511409000	-3.397500000
 6	-0.518695000	 4.477295000	-2.167105000
 1	-0.668649000	 5.469398000	-2.587462000
 6	 0.421806000	 4.283093000	-1.163965000
 1	 1.004513000	 5.115332000	-0.777080000
 6	 0.594699000	 3.010652000	-0.624857000
 6	 1.580404000	 2.775612000	 0.455723000
 6	 2.844791000	 3.357573000	 0.317139000
 1	 3.064110000	 3.925436000	-0.586057000
 6	 3.828404000	 3.202301000	 1.287883000
 1	 4.806324000	 3.655458000	 1.139707000
 6	 3.559341000	 2.475800000	 2.440794000
 1	 4.318355000	 2.356552000	 3.210805000
 6	 2.303960000	 1.901885000	 2.613592000
 1	 2.076547000	 1.341445000	 3.519179000
 6	 1.322646000	 2.037426000	 1.631843000
 6	 0.866612000	-1.476182000	-1.812704000
 6	 1.829142000	-1.292597000	-0.770145000
 6	 1.208412000	-1.631697000	 0.477303000
 6	-0.143366000	-2.001241000	 0.207933000
 6	-0.358222000	-1.899675000	-1.204754000
 6	 1.086826000	-1.153022000	-3.253159000
 1	 0.146062000	-1.158316000	-3.817539000
 1	 1.758882000	-1.878458000	-3.733658000
 1	 1.544159000	-0.160545000	-3.383012000
 6	 3.223739000	-0.791270000	-0.937413000
 1	 3.951423000	-1.615602000	-0.975181000
 1	 3.522282000	-0.136587000	-0.105563000
 1	 3.336085000	-0.217887000	-1.867209000
 6	 1.888622000	-1.633747000	 1.804562000
 1	 2.621672000	-0.819681000	 1.891582000
 1	 2.436828000	-2.574238000	 1.963817000
 1	 1.176971000	-1.535528000	 2.634998000
 6	-1.178446000	-2.426752000	 1.192895000
 1	-1.371892000	-3.507634000	 1.126227000
 1	-2.138621000	-1.920263000	 1.017129000
 1	-0.877347000	-2.215973000	 2.226279000
 6	-1.655530000	-2.179952000	-1.885347000
 1	-2.502230000	-1.730229000	-1.346908000
 1	-1.852942000	-3.260919000	-1.939440000
 1	-1.672556000	-1.795832000	-2.912834000
 16	-0.200550000	 1.133056000	 1.946498000
 6	-1.382577000	 2.506559000	 2.205460000
 9	-0.938693000	 3.348886000	 3.126250000
 9	-1.641915000	 3.206271000	 1.105970000
 9	-2.516036000	 1.957742000	 2.624795000

-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
F   1   1.00
2.7800000              1.0000000
****
-Ag     0
S   1   1.00
2.9500000              1.0000000
S   1   1.00
2.1490000              1.0000000
S   1   1.00
0.6684000              1.0000000
S   1   1.00
0.0997000              1.0000000
S   1   1.00
0.0347000              1.0000000
P   1   1.00
6.5530000              1.0000000
P   1   1.00
1.5650000              1.0000000
P   1   1.00
0.5748000              1.0000000
P   1   1.00
0.0833000              1.0000000
P   1   1.00
0.0252000              1.0000000
D   2   1.00
3.3910000              0.1396938
1.5990000              0.4744421
D   1   1.00
0.6282000              1.0000000
D   1   1.00
0.2108000              1.0000000
F   1   1.00
1.6110000              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 -O -Cl -S -B -Br -F 0
6-311++g**
****

-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
-AG     0
AG-ECP     3     28
f potential
5
0    568.7006237             -0.0587930
1    162.3579066            -20.1145146
2     51.1025755           -104.2733114
2     16.9205822            -40.4539787
2      6.1669596             -3.4420009
s-f potential
5
0     76.0974658              2.9861527
1     15.3327359             35.1576460
2     18.7715345            450.1809906
2     13.3663294           -866.0248308
2      9.8236948            523.1110176
p-f potential
5
0     56.3318043              4.9640671
1     69.0609098             21.5028219
2     19.2717998            546.0275453
2     12.5770654           -600.3822556
2      8.7956670            348.2949289
d-f potential
5
0     53.4641078              3.0467486
1     40.1975457             23.3656705
2     11.9086073            777.2540117
2      9.7528183          -1238.8602423
2      8.1788997            608.0677121
-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


