%nprocshared=4
%mem=3000MB
%chk=PhI_bb
#p SCRF(SMD,Solvent=TetraHydroFuran) B3LYP/genecp EmpiricalDispersion=GD3 nosymm scf(maxcyc=400,XQC) gfinput gfprint pop=full

PhI - use genecp

0 1
 C                 -2.22760200    0.04315000    0.00004400
 C                 -0.82964400    0.03362200    0.00056400
 C                 -0.14427700    1.25143300    0.00002300
 C                 -0.82954600    2.46932600   -0.00098800
 C                 -2.22748100    2.45992700   -0.00149000
 C                 -2.92817800    1.25155900   -0.00098500
 H                 -2.76470500   -0.90162500    0.00046100
 H                 -0.28903300   -0.90697200    0.00136600
 H                 -0.28882000    3.40985500   -0.00141000
 H                 -2.76453500    3.40472900   -0.00229300
 H                 -4.01461100    1.25162800   -0.00138700
 I                  1.98448100    1.25137600    0.00075900

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
****
C H 0
6-311+G(d,p)
****

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
















