%mem=3000MB
%nprocshared=4
#p opt=(ts,calcfc,noeigentest,maxstep=4) freq=noraman b3lyp/genecp scrf=(smd,solvent=dichloromethane) empiricaldispersion=gd3 nosymm

ch3nch33-i-ts_6311+Gd_ch2cl2

0 1
 C	 1.034005000	-0.016691000	 0.610701000
 H	 1.268608000	-0.024253000	-0.438788000
 H	 0.813658000	 0.916800000	 1.097100000
 H	 0.799010000	-0.941202000	 1.107320000
 N	-1.082728000	-0.003599000	-0.019473000
 C	-1.298994000	-1.217115000	-0.805626000
 H	-0.636052000	-1.216920000	-1.673164000
 H	-1.074792000	-2.095144000	-0.196678000
 H	-2.337681000	-1.292059000	-1.158772000
 C	-1.281603000	 1.207328000	-0.814194000
 H	-1.045290000	 2.086320000	-0.211235000
 H	-0.618437000	 1.191816000	-1.681422000
 H	-2.319030000	 1.294416000	-1.168255000
 C	-1.882070000	 0.006483000	 1.204788000
 H	-1.653711000	-0.879506000	 1.800602000
 H	-1.641370000	 0.893591000	 1.794038000
 H	-2.959697000	 0.013181000	 0.986088000
 I	 3.299186000	-0.030764000	 1.292083000

-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

