%mem=120000MB
%nprocshared=24
#p opt=maxstep=4 freq=noraman b3lyp/genecp scrf=(smd,solvent=water) nosymm
empiricaldispersion=gd3

ch3nch33-i_6311+Gd

0 1
 N                  0.01749200   -0.26413700   -0.01479400
 C                  0.32490300   -1.75839000    0.01989200
 H                 -0.11505400   -2.18393200    0.92660000
 H                 -0.12453300   -2.23122000   -0.86250300
 H                  1.41193700   -1.89446700    0.02347500
 C                  0.61245500    0.39644000    1.21359000
 H                  0.41350000    1.47911400    1.15567000
 H                  0.12842700   -0.03932800    2.08518800
 H                  1.69017200    0.20060500    1.24025700
 C                  0.63868700    0.33392900   -1.25167300
 H                  0.22769700   -0.18191600   -2.12292600
 H                  0.40107100    1.40547600   -1.28572000
 H                  1.72582400    0.17810400   -1.20250600
 C                 -1.48310000   -0.04438300   -0.06035900
 H                 -1.92032800   -0.51083200    0.83274100
 H                 -1.68073300    1.03380700   -0.05818100
 H                 -1.89639400   -0.51711700   -0.95731400
 I                  1.93249600   -5.25502500    0.42070000

-H -C -N -O -P -B -S -Al -Cl -F -He -Si 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

