%chk=s9_ts1o.chk
#p sp wb97xd/gen scrf=(smd, solvent=n,n-dimethylformamide)

Title

-2 1
C     -2.488930    -1.525627     1.802422
C     -1.226421    -0.948608     2.251427
O     -0.639304    -0.289399     3.106406
C     -1.286742    -1.708687     1.098633
S     -3.020932     0.601442    -0.738843
S     -4.041261    -0.129642     0.874029
S     -2.499228     2.598681    -0.392321
S     -0.564326     2.722696     0.368856
S      0.684473     2.778717    -1.295170
S      1.463912     0.861542    -1.526535
S      3.450955     0.974270    -0.859041
S      3.564736     0.749867     1.209116
S      3.762182    -1.231801     1.737262
H     -3.255626    -2.193411     2.185868
C     -0.716206    -2.428102    -0.021057
C     -1.556802    -3.107283    -0.917545
C      0.670484    -2.457712    -0.238767
C     -1.025827    -3.786390    -2.009440
H     -2.631130    -3.091510    -0.753471
C      1.195478    -3.143223    -1.329461
H      1.339586    -1.947464     0.451147
C      0.352608    -3.806420    -2.222037
H     -1.689866    -4.301814    -2.697726
H      2.271147    -3.155411    -1.484126
H      0.766284    -4.335240    -3.075644

-H     0
S    1   1.00
      3.258000D-01           1.000000D+00
S    5   1.00
      3.387000D+01           6.068000D-03
      5.095000D+00           4.530800D-02
      1.159000D+00           2.028220D-01
      3.258000D-01           5.039030D-01
      1.027000D-01           3.834210D-01
S    1   1.00
      1.027000D-01           1.000000D+00
S    1   1.00
      0.0252600              1.0000000
P    1   1.00
      1.407000D+00           1.000000D+00
P    1   1.00
      3.880000D-01           1.000000D+00
P    1   1.00
      0.1020000              1.0000000
D    1   1.00
      1.057000D+00           1.0000000
D    1   1.00
      0.2470000              1.0000000
****
-C     0
S    10   1.00
      8.236000D+03           5.310000D-04
      1.235000D+03           4.108000D-03
      2.808000D+02           2.108700D-02
      7.927000D+01           8.185300D-02
      2.559000D+01           2.348170D-01
      8.997000D+00           4.344010D-01
      3.319000D+00           3.461290D-01
      9.059000D-01           3.937800D-02
      3.643000D-01          -8.983000D-03
      1.285000D-01           2.385000D-03
S    1   1.00
      9.059000D-01           1.000000D+00
S    10   1.00
      8.236000D+03          -1.130000D-04
      1.235000D+03          -8.780000D-04
      2.808000D+02          -4.540000D-03
      7.927000D+01          -1.813300D-02
      2.559000D+01          -5.576000D-02
      8.997000D+00          -1.268950D-01
      3.319000D+00          -1.703520D-01
      9.059000D-01           1.403820D-01
      3.643000D-01           5.986840D-01
      1.285000D-01           3.953890D-01
S    1   1.00
      1.285000D-01           1.000000D+00
S    1   1.00
      0.0440200              1.0000000
P    1   1.00
      3.827000D-01           1.000000D+00
P    5   1.00
      1.871000D+01           1.403100D-02
      4.133000D+00           8.686600D-02
      1.200000D+00           2.902160D-01
      3.827000D-01           5.010080D-01
      1.209000D-01           3.434060D-01
P    1   1.00
      1.209000D-01           1.000000D+00
P    1   1.00
      0.0356900              1.0000000
D    1   1.00
      1.097000D+00           1.000000D+00
D    1   1.00
      3.180000D-01           1.000000D+00
D    1   1.00
      0.1000000              1.0000000
F    1   1.00
      7.610000D-01           1.0000000
F    1   1.00
      0.2680000              1.0000000
****
-O     0
S    10   1.00
      1.533000D+04           5.080000D-04
      2.299000D+03           3.929000D-03
      5.224000D+02           2.024300D-02
      1.473000D+02           7.918100D-02
      4.755000D+01           2.306870D-01
      1.676000D+01           4.331180D-01
      6.207000D+00           3.502600D-01
      1.752000D+00           4.272800D-02
      6.882000D-01          -8.154000D-03
      2.384000D-01           2.381000D-03
S    1   1.00
      1.752000D+00           1.000000D+00
S    10   1.00
      1.533000D+04          -1.150000D-04
      2.299000D+03          -8.950000D-04
      5.224000D+02          -4.636000D-03
      1.473000D+02          -1.872400D-02
      4.755000D+01          -5.846300D-02
      1.676000D+01          -1.364630D-01
      6.207000D+00          -1.757400D-01
      1.752000D+00           1.609340D-01
      6.882000D-01           6.034180D-01
      2.384000D-01           3.787650D-01
S    1   1.00
      2.384000D-01           1.000000D+00
S    1   1.00
      0.0737600              1.0000000
P    1   1.00
      7.156000D-01           1.000000D+00
P    5   1.00
      3.446000D+01           1.592800D-02
      7.749000D+00           9.974000D-02
      2.280000D+00           3.104920D-01
      7.156000D-01           4.910260D-01
      2.140000D-01           3.363370D-01
P    1   1.00
      2.140000D-01           1.000000D+00
P    1   1.00
      0.0597400              1.0000000
D    1   1.00
      2.314000D+00           1.000000D+00
D    1   1.00
      6.450000D-01           1.000000D+00
D    1   1.00
      0.2140000              1.0000000
F    1   1.00
      1.428000D+00           1.0000000
F    1   1.00
      0.5000000              1.0000000
****
-S     0
S    15   1.00
      3.741000D+05           5.421400D-05
      5.605000D+04           4.208550D-04
      1.276000D+04           2.206980D-03
      3.615000D+03           9.192580D-03
      1.183000D+03           3.211230D-02
      4.288000D+02           9.466830D-02
      1.678000D+02           2.236300D-01
      6.947000D+01           3.743930D-01
      2.984000D+01           3.291080D-01
      1.272000D+01           8.470380D-02
      5.244000D+00           4.408510D-04
      2.219000D+00           1.648270D-03
      7.767000D-01          -6.223320D-04
      3.490000D-01           3.013060D-04
      1.322000D-01          -8.412900D-05
S    15   1.00
      3.741000D+05          -1.498370D-05
      5.605000D+04          -1.161980D-04
      1.276000D+04          -6.115830D-04
      3.615000D+03          -2.553700D-03
      1.183000D+03          -9.087080D-03
      4.288000D+02          -2.770450D-02
      1.678000D+02          -7.200200D-02
      6.947000D+01          -1.464390D-01
      2.984000D+01          -1.951500D-01
      1.272000D+01           8.191930D-03
      5.244000D+00           5.166010D-01
      2.219000D+00           5.421780D-01
      7.767000D-01           6.884300D-02
      3.490000D-01          -9.180720D-03
      1.322000D-01           2.268320D-03
S    1   1.00
      7.767000D-01           1.000000D+00
S    15   1.00
      3.741000D+05           4.350660D-06
      5.605000D+04           3.371400D-05
      1.276000D+04           1.776740D-04
      3.615000D+03           7.411160D-04
      1.183000D+03           2.645910D-03
      4.288000D+02           8.074870D-03
      1.678000D+02           2.122760D-02
      6.947000D+01           4.383230D-02
      2.984000D+01           6.127160D-02
      1.272000D+01          -3.615100D-03
      5.244000D+00          -2.045100D-01
      2.219000D+00          -3.818710D-01
      7.767000D-01           8.268440D-02
      3.490000D-01           7.141470D-01
      1.322000D-01           3.937910D-01
S    1   1.00
      1.322000D-01           1.000000D+00
S    1   1.00
      0.0497000              1.0000000
P    9   1.00
      5.744000D+02           2.422640D-03
      1.358000D+02           1.927960D-02
      4.319000D+01           8.854010D-02
      1.587000D+01           2.546540D-01
      6.208000D+00           4.339840D-01
      2.483000D+00           3.549530D-01
      8.688000D-01           6.189410D-02
      3.229000D-01          -5.029770D-03
      1.098000D-01           2.098130D-03
P    1   1.00
      8.688000D-01           1.000000D+00
P    9   1.00
      5.744000D+02          -6.201020D-04
      1.358000D+02          -4.938820D-03
      4.319000D+01          -2.326470D-02
      1.587000D+01          -6.851950D-02
      6.208000D+00          -1.238960D-01
      2.483000D+00          -9.694990D-02
      8.688000D-01           2.282150D-01
      3.229000D-01           5.693940D-01
      1.098000D-01           3.663020D-01
P    1   1.00
      1.098000D-01           1.000000D+00
P    1   1.00
      0.0351000              1.0000000
D    1   1.00
      3.756000D+00           1.000000D+00
D    1   1.00
      8.120000D-01           1.000000D+00
D    1   1.00
      2.730000D-01           1.000000D+00
D    1   1.00
      0.1010000              1.0000000
F    1   1.00
      5.570000D-01           1.0000000
F    1   1.00
      0.2180000              1.0000000
****






