%chk=000108389.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108389

0 1
 S   -2.078200      -3.195500     -0.5317000    
 O   0.3879000      0.7384000      -2.281400    
 O   -1.260400      -2.367200       2.293700    
 N    4.171400      0.4292000      1.0700000E-02
 C    1.255700      0.1789000     -0.1666000    
 C  -3.0600000E-02  0.2905000     -0.9802000    
 C    1.959800       1.535900     -6.0100000E-02
 C    2.208700     -0.8520000     -0.7810000    
 C    3.299800       1.412200      0.6681000    
 C    3.540200     -0.8968000     -2.8400000E-02
 C  -0.7933000      -1.022500      -1.091500    
 C   -1.016700       1.297000     -0.3675000    
 C   -1.640600       1.110300      0.8936000    
 C   -1.342600      -1.724400     -1.9099999E-02
 C    5.466200      0.3599000      0.6876000    
 C   -1.023800      -1.722400      -2.329000    
 C   -1.296300       2.496600      -1.061700    
 C   -1.364900      -1.355100       1.357300    
 C   -1.472500     -7.8500003E-02   1.754100    
 C   -2.480800       2.116500       1.413100    
 C   -1.704900      -2.903900      -2.164300    
 C   -2.144100       3.474300     -0.5374000    
 C   -2.733500       3.286300      0.7025000    
 C   9.3500003E-02  -2.607600       2.619300    
 H    1.053000     -0.1514000      0.8582000    
 H    1.343500       2.255700      0.4901000    
 H    2.142900       1.965500      -1.053200    
 H    2.437400     -0.6261000      -1.828300    
 H    1.768600      -1.855200     -0.7577000    
 H    3.782700       2.397100      0.6640000    
 H    3.125000       1.140400       1.717600    
 H    3.376200      -1.282700      0.9866000    
 H    4.199800      -1.606600     -0.5424000    
 H   0.8323000      1.8300001E-02  -2.755500    
 H    6.134800     -0.3361000      0.1688000    
 H    5.372000      3.5500001E-02   1.730300    
 H    5.960500       1.337700      0.6738000    
 H  -0.7038000      -1.381200      -3.305200    
 H  -0.8484000       2.703200      -2.030700    
 H   -1.490000      0.1240000       2.824300    
 H   -2.960100       1.990800       2.382800    
 H   -1.995700      -3.608200      -2.930900    
 H   -2.334300       4.384500      -1.098800    
 H   -3.389300       4.045700       1.117400    
 H   0.1285000      -3.420700       3.350700    
 H   0.5580000      -1.726400       3.075900    
 H   0.6696000      -2.922000       1.741600    


%chk=000108389-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000108389

0 1
S -1.894489 -3.384534 -0.369131
O 0.172150 0.747205 -2.414650
O -1.336699 -2.258113 2.473224
N 4.193622 0.496303 0.041246
C 1.269902 0.250551 -0.241386
C -0.092726 0.306684 -1.028687
C 1.974364 1.626990 -0.170735
C 2.251663 -0.801505 -0.818048
C 3.291562 1.519111 0.622912
C 3.550810 -0.836009 0.012431
C -0.778148 -1.066588 -1.074230
C -1.060883 1.338609 -0.412618
C -1.558759 1.198980 0.928255
C -1.184873 -1.764983 0.066985
C 5.510349 0.468655 0.705887
C -1.036393 -1.787519 -2.296125
C -1.401873 2.490710 -1.160901
C -1.245816 -1.289045 1.437137
C -1.384444 0.031492 1.801043
C -2.311283 2.281739 1.481544
C -1.606011 -3.034036 -2.102743
C -2.183021 3.525775 -0.606418
C -2.627457 3.428238 0.733341
C -0.147114 -3.118825 2.640981
H 1.029747 -0.058845 0.794460
H 1.317418 2.371191 0.315752
H 2.192694 1.993769 -1.191362
H 2.539610 -0.549037 -1.861596
H 1.788506 -1.805729 -0.827158
H 3.817430 2.492293 0.611116
H 3.053943 1.282863 1.696081
H 3.307272 -1.197371 1.049902
H 4.263036 -1.559591 -0.427176
H 1.008757 0.311090 -2.715951
H 6.170214 -0.257625 0.197785
H 5.454730 0.186877 1.788871
H 5.982081 1.465408 0.637815
H -0.809848 -1.371687 -3.279028
H -1.018002 2.568495 -2.180258
H -1.501063 0.203789 2.879098
H -2.676116 2.187342 2.511340
H -1.884503 -3.780503 -2.844644
H -2.424230 4.409652 -1.207312
H -3.219157 4.232767 1.183713
H -0.428563 -3.860780 3.403291
H 0.713224 -2.518419 2.996152
H 0.121587 -3.633936 1.699294


