%chk=4_n.chk
#p sp wb97xd/gen scrf=(smd, solvent=n,n-dimethylformamide)

Title 

0 1
C     -2.448544     0.993905     0.220294
C     -1.007678     1.145870     0.273992
C     -0.214953     0.078251     0.036780
S     -0.983880    -1.454224    -0.338060
S     -2.919468    -0.738136    -0.159847
O     -3.309521     1.820986     0.401157
H     -0.605989     2.120081     0.527637
C      1.260623     0.091254     0.034312
C      1.994462    -0.996643     0.523425
C      1.939244     1.210291    -0.466239
C      3.384929    -0.961804     0.515253
H      1.484096    -1.862106     0.936640
C      3.328733     1.238943    -0.471263
H      1.376268     2.047306    -0.867018
C      4.054154     0.154054     0.018417
H      3.944417    -1.806561     0.903909
H      3.845752     2.107955    -0.865499
H      5.139376     0.178460     0.011755

-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
****
-F     0
S    10   1.00
      1.950000D+04           5.070000D-04
      2.923000D+03           3.923000D-03
      6.645000D+02           2.020000D-02
      1.875000D+02           7.901000D-02
      6.062000D+01           2.304390D-01
      2.142000D+01           4.328720D-01
      7.950000D+00           3.499640D-01
      2.257000D+00           4.323300D-02
      8.815000D-01          -7.892000D-03
      3.041000D-01           2.384000D-03
S    1   1.00
      2.257000D+00           1.000000D+00
S    10   1.00
      1.950000D+04          -1.170000D-04
      2.923000D+03          -9.120000D-04
      6.645000D+02          -4.717000D-03
      1.875000D+02          -1.908600D-02
      6.062000D+01          -5.965500D-02
      2.142000D+01          -1.400100D-01
      7.950000D+00          -1.767820D-01
      2.257000D+00           1.716250D-01
      8.815000D-01           6.050430D-01
      3.041000D-01           3.695120D-01
S    1   1.00
      3.041000D-01           1.000000D+00
S    1   1.00
      0.0915800              1.0000000
P    1   1.00
      9.132000D-01           1.000000D+00
P    5   1.00
      4.388000D+01           1.666500D-02
      9.926000D+00           1.044720D-01
      2.930000D+00           3.172600D-01
      9.132000D-01           4.873430D-01
      2.672000D-01           3.346040D-01
P    1   1.00
      2.672000D-01           1.000000D+00
P    1   1.00
      0.0736100              1.0000000
D    1   1.00
      3.107000D+00           1.000000D+00
D    1   1.00
      8.550000D-01           1.000000D+00
D    1   1.00
      0.2920000              1.0000000
F    1   1.00
      1.917000D+00           1.0000000
F    1   1.00
      0.7240000              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
****
-Cl     0
S    15   1.00
      4.561000D+05           4.929700D-05
      6.833000D+04           3.830290D-04
      1.555000D+04           2.008540D-03
      4.405000D+03           8.385580D-03
      1.439000D+03           2.947030D-02
      5.204000D+02           8.783250D-02
      2.031000D+02           2.114730D-01
      8.396000D+01           3.653640D-01
      3.620000D+01           3.408840D-01
      1.583000D+01           1.021330D-01
      6.334000D+00           3.116750D-03
      2.694000D+00           1.057510D-03
      9.768000D-01          -3.780000D-04
      4.313000D-01           1.561360D-04
      1.625000D-01          -5.141260D-05
S    15   1.00
      4.561000D+05          -1.383040D-05
      6.833000D+04          -1.072790D-04
      1.555000D+04          -5.650830D-04
      4.405000D+03          -2.361350D-03
      1.439000D+03          -8.458860D-03
      5.204000D+02          -2.596380D-02
      2.031000D+02          -6.863620D-02
      8.396000D+01          -1.418740D-01
      3.620000D+01          -1.993190D-01
      1.583000D+01          -1.956620D-02
      6.334000D+00           4.997410D-01
      2.694000D+00           5.637360D-01
      9.768000D-01           7.903250D-02
      4.313000D-01          -8.350910D-03
      1.625000D-01           2.324560D-03
S    1   1.00
      9.768000D-01           1.000000D+00
S    15   1.00
      4.561000D+05           4.185460D-06
      6.833000D+04           3.243950D-05
      1.555000D+04           1.711050D-04
      4.405000D+03           7.141760D-04
      1.439000D+03           2.567050D-03
      5.204000D+02           7.885520D-03
      2.031000D+02           2.108670D-02
      8.396000D+01           4.422640D-02
      3.620000D+01           6.516700D-02
      1.583000D+01           6.030120D-03
      6.334000D+00          -2.064950D-01
      2.694000D+00          -4.058710D-01
      9.768000D-01           7.595580D-02
      4.313000D-01           7.256610D-01
      1.625000D-01           3.944230D-01
S    1   1.00
      1.625000D-01           1.000000D+00
S    1   1.00
      0.0591000              1.0000000
P    9   1.00
      6.633000D+02           2.404480D-03
      1.568000D+02           1.921480D-02
      4.998000D+01           8.850970D-02
      1.842000D+01           2.560200D-01
      7.240000D+00           4.369270D-01
      2.922000D+00           3.503340D-01
      1.022000D+00           5.854950D-02
      3.818000D-01          -4.584230D-03
      1.301000D-01           2.269700D-03
P    1   1.00
      1.022000D+00           1.000000D+00
P    9   1.00
      6.633000D+02          -6.521450D-04
      1.568000D+02          -5.194450D-03
      4.998000D+01          -2.469380D-02
      1.842000D+01          -7.281670D-02
      7.240000D+00          -1.340300D-01
      2.922000D+00          -9.477420D-02
      1.022000D+00           2.622890D-01
      3.818000D-01           5.646670D-01
      1.301000D-01           3.412500D-01
P    1   1.00
      1.301000D-01           1.000000D+00
P    1   1.00
      0.0419000              1.0000000
D    1   1.00
      4.610000D+00           1.000000D+00
D    1   1.00
      1.011000D+00           1.000000D+00
D    1   1.00
      3.390000D-01           1.000000D+00
D    1   1.00
      1.300000D-01           1.000000D+00
F    1   1.00
      7.060000D-01           1.0000000
F    1   1.00
      0.3120000              1.0000000
****

