%nprocshared=8
%mem=23000MB
%chk=smd-r6i.chk
#p wb97xd/genecp scrf=(smd,solvent=tetrahydrofuran)

***

0 1
 C                  6.26974900   -0.54445600    0.52171400
 H                  6.27170200   -0.05951700    1.49679300
 H                  7.09946100   -1.21335300    0.30554500
 C                  5.30006100   -0.32546600   -0.36454100
 H                  5.33738300   -0.83487300   -1.32897200
 C                  4.11277000    0.56797900   -0.14366500
 H                  4.09673400    1.34786200   -0.91853900
 H                  4.20593200    1.07879100    0.82331900
 C                  2.78610700   -0.20197100   -0.19657700
 H                  2.78589200   -0.97289600    0.58510300
 H                  2.70876100   -0.72917300   -1.15738400
 C                  1.56997100    0.70827800   -0.01974000
 H                  1.57473700    1.47880100   -0.80273400
 H                  1.64536000    1.23493300    0.94143500
 C                  0.24967600   -0.06835700   -0.07531900
 H                  0.16838400   -0.58716800   -1.03765500
 H                  0.23920800   -0.83450500    0.70863700
 C                 -0.93041000    0.87118600    0.10426800
 H                 -0.98806600    1.62176400   -0.68507200
 H                 -0.92605600    1.36481900    1.07674000
 I                 -2.83711300   -0.16865400    0.01954600

I     0
S   1   1.00
      0.7242000              1.0000000
S   1   1.00
      0.4653000              1.0000000
S   1   1.00
      0.1336000              1.0000000
P   1   1.00
      1.2900000              1.0000000
P   1   1.00
      0.3180000              1.0000000
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**
****

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







