%nprocshared=8
%mem=23000MB
%chk=smd-r5i.chk
#p wb97xd/genecp scrf=(smd,solvent=tetrahydrofuran)

***

0 1
 C                  5.60496600   -0.13084100   -0.51096000
 H                  5.51480000   -0.89486900   -1.28181000
 H                  6.55391200    0.39708200   -0.45429700
 C                  4.60495600    0.13906800    0.32583200
 H                  4.73953600    0.91446300    1.08210500
 C                  3.26208300   -0.53371900    0.31497400
 H                  3.09492900   -1.02310400    1.28524300
 H                  3.24379700   -1.32072400   -0.44922900
 C                  2.11850500    0.45962300    0.06443400
 H                  2.25851000    0.93166900   -0.91665800
 H                  2.16431900    1.26289200    0.81207500
 C                  0.74397500   -0.21583400    0.12511800
 H                  0.60426400   -0.67581900    1.11045200
 H                  0.69330100   -1.01943900   -0.61883600
 C                 -0.35716700    0.79769400   -0.13407400
 H                 -0.36938400    1.59659900    0.60829000
 H                 -0.29950600    1.22915300   -1.13409400
 I                 -2.34080000   -0.08479000   -0.02179600

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        









