%mem=3000MB
%nprocshared=4
#p opt=(calcfc,maxstep=2) freq=noraman b3lyp/genecp
scrf=(smd,solvent=dichloromethane) empiricaldispersion=gd3
scf=(maxcyc=1000,qc,conver=8,nosym)

ch3nch33-br_6311+Gd_ch2cl2

0 1
 N                  2.23736600   -0.00010000   -0.00014500
 C                  0.72860300   -0.00013800    0.03615800
 H                  0.39741000    0.44792700    0.96857400
 H                  0.35288600    0.57613100   -0.80441800
 H                  0.37133000   -1.02375200   -0.02989000
 C                  2.76596500   -0.79308300    1.15980700
 H                  3.85421700   -0.79259200    1.12141400
 H                  2.42273400   -0.33214700    2.08400000
 H                  2.38862900   -1.81149100    1.08883000
 C                  2.70636000   -0.61848700   -1.28467200
 H                  2.31136100   -0.04006200   -2.11772500
 H                  3.79513500   -0.60988700   -1.30315200
 H                  2.33854400   -1.64164300   -1.33446800
 C                  2.73807000    1.41231900    0.08865100
 H                  2.38436600    1.85140000    1.01946200
 H                  3.82662600    1.40278200    0.06697300
 H                  2.35131800    1.97453300   -0.75909900
 Br                -2.74543200   -0.00011900    0.00002400

-H -C -N -O -P -B -S -Al -Cl -F -He -Si 0
6-311+g*
****
Br     0
S   2   1.00
      1.1590000             -3.0378769
      0.7107000              3.3703735
S   1   1.00
      0.1905000              1.0000000
P   2   1.00
      2.6910000             -0.1189800
      0.4446000              1.0424471
P   1   1.00
      0.1377000              1.0000000
P   1   1.00
      0.0376                 1.0
D   1   1.00
      0.4340                 1.0
****

BR     0
BR-ECP     3     28
f potential
  4
1    213.6143969            -28.0000000
2     41.0585380           -134.9268852
2      8.7086530            -41.9271913
2      2.6074661             -5.9336420
s-f potential
  4
0     54.1980682              3.0000000
1     32.9053558             27.3430642
2     13.6744890            118.8028847
2      3.0341152             43.4354876
p-f potential
  5
0     54.2563340              5.0000000
1     26.0095593             25.0504252
2     28.2012995             92.6157463
2      9.4341061             95.8249016
2      2.5321764             26.2684983
d-f potential
  5
0     87.6328721              3.0000000
1     61.7373377             22.5533557
2     32.4385104            178.1241988
2      8.7537199             76.9924162
2      1.6633189              9.4818270



