%chk=SeHalkyl.chk
%mem=16GB
%nprocshared=8
#p b3lyp/gen scrf=(smd,solvent=1,4-dioxane) nosymm pop=full
cphf=conver=7 empiricaldispersion=gd3 int=(acc2e=11,grid=ultrafine)

TEXT

0 1
 C                  9.83570900    8.72672400    3.69147500
 H                  8.93312800    9.33638300    3.66912900
 H                 10.54327100    9.16423200    4.39486300
 C                 10.44888500    8.60431800    2.30222100
 H                 11.32904800    7.95592900    2.34465300
 H                  9.73513400    8.12442500    1.62606800
 C                 10.84556300    9.97137800    1.74252300
 H                  9.97875900   10.63270300    1.66071300
 H                 11.58190100   10.46343300    2.38368400
 H                 11.28427300    9.87330800    0.74670700
 H                  8.81126300    7.41797300    5.67392400
 Se                 9.32936300    6.92475900    4.38776100

H     0
S    4   1.00
    190.6916900              0.70815167D-03
     28.6055320              0.54678827D-02
      6.5095943              0.27966605D-01
      1.8412455              0.10764538
S    1   1.00
      0.59853725             1.0000000
S    1   1.00
      0.21397624             1.0000000
S    1   1.00
      0.80316286D-01         1.0000000
P    1   1.00
      2.29200000             1.0000000
P    1   1.00
      0.83800000             1.0000000
P    1   1.00
      0.29200000             1.0000000
D    1   1.00
      2.06200000             1.0000000
D    1   1.00
      0.66200000             1.0000000
F    1   1.00
      1.39700000             1.0000000
****
C     0
S    8   1.00
  67025.0710290              0.38736308501D-04
  10039.9865380              0.30107917575D-03
   2284.9316911              0.15787918095D-02
    647.14122130             0.66087087195D-02
    211.09472335             0.23367123250D-01
     76.177643862            0.70420716898D-01
     29.633839163            0.17360344953
     12.187785081            0.32292305648
S    2   1.00
     53.026006299            0.74897404492D-01
     15.258502776            0.76136220983
S    1   1.00
      5.2403957464           1.0000000
S    1   1.00
      2.2905022379           1.0000000
S    1   1.00
      0.69673283006          1.0000000
S    1   1.00
      0.27599337363          1.0000000
S    1   1.00
      0.10739884389          1.0000000
P    5   1.00
    105.12555082             0.84647553844D-03
     24.884461066            0.66274038534D-02
      7.8637230826           0.30120390419D-01
      2.8407001835           0.99951435476D-01
      1.1227137335           0.23826299282
P    1   1.00
      0.46050725555          1.0000000
P    1   1.00
      0.18937530913          1.0000000
P    1   1.00
      0.75983791611D-01      1.0000000
D    1   1.00
      1.84800000             1.0000000
D    1   1.00
      0.64900000             1.0000000
D    1   1.00
      0.22800000             1.0000000
F    1   1.00
      1.41900000             1.0000000
F    1   1.00
      0.48500000             1.0000000
G    1   1.00
      1.01100000             1.0000000
****
Se     0
S    11   1.00
9520446.7743000              0.63309690150D-05
1424984.0802000              0.49267697990D-04
 324127.5768200              0.25920249744D-03
  91774.8769500              0.10943145743D-02
  29932.7257250              0.39706139067D-02
  10804.6179050              0.12801187916D-01
   4214.0134779              0.36980379417D-01
   1747.8116633              0.94461349896D-01
    762.12160878             0.20274705434
    346.45604141             0.32878956424
    163.11569304             0.32300252609
S    4   1.00
   2614.5153067              0.79113928518D-02
    818.68552756             0.77187739408D-01
    318.63398991             0.35672061949
    139.04844125             0.75846750004
S    1   1.00
     78.348734788            1.0000000
S    1   1.00
     31.704290663            1.0000000
S    1   1.00
     15.505859269            1.0000000
S    1   1.00
      7.3227423625           1.0000000
S    1   1.00
      3.4969483549           1.0000000
S    1   1.00
      1.6121546085           1.0000000
S    1   1.00
      0.49587158541          1.0000000
S    1   1.00
      0.24092138175          1.0000000
S    1   1.00
      0.10231739397          1.0000000
P    10   1.00
  25360.2156150              0.60531790911D-04
   5993.7896610              0.53987774437D-03
   1943.0741755              0.31130456170D-02
    742.35316156             0.13599674694D-01
    314.62114597             0.47298958377D-01
    143.34748044             0.12981487726
     68.673617552            0.26569982215
     34.013554117            0.36723195311
     17.198099621            0.27478356345
      8.5830329629           0.79256169683D-01
P    5   1.00
    236.58209146            -0.12271649354D-02
     90.576183214           -0.92584627774D-02
     39.086689301           -0.28428728384D-01
      9.3084344018           0.21201102192
      4.6169923084           0.47117589805
P    1   1.00
      2.2653477506           1.0000000
P    1   1.00
      1.0800000000           1.0000000
P    1   1.00
      0.47939328581          1.0000000
P    1   1.00
      0.19619983845          1.0000000
P    1   1.00
      0.76256339275D-01      1.0000000
D    7   1.00
    539.48700124             0.66722955533D-03
    162.13394435             0.60399330928D-02
     62.661795641            0.30238666507D-01
     27.077272889            0.99267892065D-01
     12.483003929            0.22358036310
      5.8864623136           0.33574682762
      2.7519131105           0.34554856483
D    1   1.00
      1.2500769617           0.21216654622
D    1   1.00
      0.51172841843          1.0000000
D    1   1.00
      0.2000000              1.0000000
F    1   1.00
      0.70970000000          1.0000000
F    1   1.00
      0.28400000000          1.0000000
G    1   1.00
      0.57300000000          1.0000000
****







