%mem=16000MB
%nprocshared=12
#p opt=(calcfc,maxstep=2) freq b3lyp/genecp
scrf=(smd,solvent=dichloromethane) nosymm scf=qc empiricaldispersion=gd3

ch3f-c6h5_6311+Gd

-1 1
 C                 -1.33168300   -0.24448200    0.31237500
 H                 -0.68344000   -0.01070700    1.15510100
 H                 -0.85125900   -0.94592600   -0.36804900
 H                 -1.63000400    0.66227300   -0.21214900
 I                 -2.50730600   -0.86244500    0.82151900
 C                  2.06671900    0.80027600   -0.47585100
 C                  2.38007500   -0.27097200    0.39790700
 C                  3.13811600    1.71630100   -0.63015600
 C                  3.61247500   -0.42752000    1.05070000
 H                  1.62794600   -1.04036000    0.59368900
 C                  4.38274000    1.59364500    0.00712900
 H                  3.01093900    2.58440400   -1.28301300
 C                  4.62784300    0.51280300    0.85799200
 H                  3.78206700   -1.27885300    1.70965800
 H                  5.16123000    2.33821600   -0.15786600
 H                  5.58705400    0.40572600    1.35854600

-H -C -N -O -P -B -S -Al -Cl -F -He -Si -As -Se 0
6-311+g*
****
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
      0.0308                 1.0
D   1   1.00
      0.2940                 1.0
****

I     0
I-ECP     3     46
f 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-f 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-f 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-f 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

