%chk=000057107.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057107

0 1
 S   -2.738800      -3.576000      -1.221900    
 O  -0.8702000      -3.065800      0.5322000    
 O    1.397500      -1.026500       2.230000    
 N   -2.936000      0.8357000      6.4300001E-02
 N   -2.341300      -1.410800      0.4650000    
 N   -1.399600      -1.064600       1.404300    
 N    2.149700      -1.545400      0.1198000    
 N    2.839500      0.1925000      -1.400300    
 C   -1.968000      0.9323000      -1.037200    
 C   -4.049400       1.776500     -0.1228000    
 C   -1.396600       2.346600      -1.147200    
 C   -3.546000       3.218600     -0.2026000    
 C   -2.504700       3.382100      -1.303800    
 C   -3.437500     -0.5329000      0.1862000    
 C   -2.014700      -2.640100     -7.0200004E-02
 C  -0.5793000      -2.065200       1.393700    
 C   0.6392000      -2.230000       2.215800    
 C    1.878400     -0.5861000       1.025100    
 C    2.060800      0.7745000      0.7919000    
 C    2.558500       1.125200     -0.4736000    
 C    2.619800      -1.092000      -1.053500    
 C    2.934400      -2.120400      -2.086400    
 C    1.770400       1.758400       1.753000    
 C    2.753800       2.477600     -0.7432000    
 C    1.975100       3.102400       1.456800    
 C    2.467400       3.462100      0.2071000    
 C    1.737500      -2.428700      -2.982500    
 H   -2.437300      0.6542000      -1.990600    
 H   -1.113100      0.2623000     -0.8956000    
 H   -4.742700       1.703600      0.7239000    
 H   -4.617200       1.534200      -1.030900    
 H  -0.7121000       2.405500      -2.001000    
 H  -0.8099000       2.575500     -0.2491000    
 H   -3.107400       3.508300      0.7608000    
 H   -4.388100       3.895200     -0.3868000    
 H   -2.082000       4.392400      -1.275400    
 H   -2.984300       3.259700      -2.282700    
 H   -4.128200     -0.6150000       1.033600    
 H   -3.968700     -0.8594000     -0.7147000    
 H    1.245700      -3.078200       1.879400    
 H   0.3268000      -2.439900       3.243900    
 H    3.771400      -1.775400      -2.704900    
 H    3.267100      -3.043000      -1.596000    
 H    1.383600       1.492500       2.733500    
 H    3.137400       2.785600      -1.714100    
 H    1.751000       3.865200       2.196000    
 H    2.629100       4.509000     -3.2699998E-02
 H   0.8944000      -2.808200      -2.395500    
 H    2.005300      -3.185600      -3.726100    
 H    1.400700      -1.531300      -3.512500    


%chk=000057107-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057107

0 1
S -2.767823 -3.604484 -1.221116
O -0.731793 -3.083770 0.587807
O 1.459973 -0.866100 2.530153
N -3.268032 0.277340 -0.658934
N -2.369810 -1.582244 0.673765
N -1.411791 -1.169074 1.632069
N 1.876898 -0.847379 0.212868
N 2.995968 1.022473 -0.862877
C -4.016481 0.196846 -1.931714
C -2.872651 1.636415 -0.234948
C -3.228618 0.880480 -3.069708
C -2.071632 2.347357 -1.347098
C -2.851326 2.329867 -2.682844
C -3.540627 -0.694080 0.363789
C -2.009064 -2.734457 -0.000430
C -0.457457 -2.081050 1.538978
C 0.819689 -2.182907 2.316846
C 1.968507 -0.240798 1.396113
C 2.579032 1.049912 1.587346
C 3.092382 1.654198 0.379703
C 2.404070 -0.185196 -0.899937
C 2.263124 -0.897236 -2.224433
C 2.693552 1.721371 2.839456
C 3.717342 2.934858 0.466607
C 3.311378 2.976306 2.893962
C 3.823759 3.581154 1.703755
C 0.784498 -0.996906 -2.682994
H -5.017385 0.690174 -1.841818
H -4.180844 -0.868800 -2.171387
H -2.258545 1.555101 0.680057
H -3.772510 2.254571 0.014608
H -3.836443 0.868622 -3.994822
H -2.308277 0.296004 -3.263623
H -1.103337 1.825816 -1.477597
H -1.853192 3.386709 -1.034894
H -2.250577 2.799208 -3.484454
H -3.776342 2.935284 -2.576904
H -3.799005 -0.236566 1.337858
H -4.347005 -1.381065 0.052954
H 1.497766 -2.862895 1.774413
H 0.644956 -2.545480 3.342441
H 2.864250 -0.350096 -2.969373
H 2.674932 -1.919414 -2.123308
H 2.294429 1.244000 3.739175
H 4.102169 3.380115 -0.455540
H 3.404454 3.500865 3.850832
H 4.305196 4.563429 1.764602
H 0.181125 -1.557515 -1.948952
H 0.720227 -1.522502 -3.652128
H 0.342293 0.008742 -2.805824


