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

Co-SCF3ppy-t-2_bs2

0 3
 27	-0.018099000	 0.070531000	-0.264414000
 7	-0.046467000	 1.942916000	-1.137353000
 6	-0.960377000	 2.128599000	-2.102359000
 1	-1.511427000	 1.238403000	-2.409812000
 6	-1.207444000	 3.360881000	-2.685876000
 1	-1.968364000	 3.456130000	-3.456393000
 6	-0.456060000	 4.452471000	-2.263535000
 1	-0.611193000	 5.437590000	-2.698896000
 6	 0.490035000	 4.269462000	-1.264674000
 1	 1.070898000	 5.109450000	-0.890217000
 6	 0.665471000	 3.003059000	-0.704553000
 6	 1.638274000	 2.805989000	 0.394478000
 6	 2.887142000	 3.428465000	 0.292820000
 1	 3.113363000	 4.006982000	-0.602236000
 6	 3.853683000	 3.291888000	 1.283396000
 1	 4.821834000	 3.773853000	 1.161547000
 6	 3.581751000	 2.538585000	 2.419270000
 1	 4.329165000	 2.427873000	 3.202477000
 6	 2.340427000	 1.925569000	 2.554882000
 1	 2.108427000	 1.342303000	 3.445228000
 6	 1.376513000	 2.045518000	 1.553513000
 6	 0.766892000	-1.331308000	-1.740068000
 6	 1.731538000	-1.188976000	-0.694405000
 6	 1.144718000	-1.659520000	 0.521563000
 6	-0.193599000	-2.070521000	 0.237703000
 6	-0.432434000	-1.855751000	-1.158050000
 6	 0.999343000	-0.973025000	-3.171961000
 1	 0.057969000	-0.836356000	-3.722254000
 1	 1.571936000	-1.743605000	-3.713702000
 1	 1.568038000	-0.034924000	-3.269205000
 6	 3.119481000	-0.664636000	-0.868001000
 1	 3.814418000	-1.427362000	-1.256483000
 1	 3.542222000	-0.304500000	 0.080680000
 1	 3.150685000	 0.175790000	-1.578712000
 6	 1.827259000	-1.775485000	 1.846064000
 1	 2.638266000	-1.041431000	 1.957956000
 1	 2.279556000	-2.769912000	 1.993628000
 1	 1.130862000	-1.621229000	 2.683665000
 6	-1.153717000	-2.668296000	 1.213729000
 1	-1.027050000	-3.758397000	 1.321389000
 1	-2.197202000	-2.498376000	 0.912223000
 1	-1.037550000	-2.237660000	 2.219507000
 6	-1.693688000	-2.207661000	-1.880604000
 1	-2.587885000	-1.944446000	-1.297091000
 1	-1.761630000	-3.286169000	-2.096583000
 1	-1.774364000	-1.687070000	-2.844736000
 16	-0.146362000	 1.120424000	 1.814886000
 6	-1.272321000	 2.529201000	 2.168244000
 9	-0.789593000	 3.326813000	 3.118071000
 9	-1.536917000	 3.290160000	 1.105551000
 9	-2.423890000	 2.012417000	 2.593469000

-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


