%chk=000149722.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149722

0 1
 S    5.866200     -5.6499999E-02  -1.079900    
 O    7.114000      0.5297000      -1.532600    
 O    5.771900     -0.6675000      0.2310000    
 N  -0.4232000      5.2299999E-02  0.9890000    
 N    1.795600      0.7317000       2.639000    
 N   -4.105800     -0.9881000     -0.7211000    
 N    4.607200       1.095000      -1.314600    
 C   -1.671800     -0.3004000      0.4088000    
 C   -2.568500      0.7037000      2.9400000E-02
 C   -1.993400      -1.648700      0.2226000    
 C   0.8351000      0.3149000      0.4316000    
 C   -3.791100      0.3091000     -0.5395000    
 C    1.932900      0.6497000       1.235200    
 C   -3.238600      -1.951300     -0.3541000    
 C   -2.271300       2.066500      0.2050000    
 C    3.177000      0.9072000      0.6593000    
 C    1.002700      0.2417000     -0.9570000    
 C    3.334000      0.8319000     -0.7247000    
 C   -4.687900       1.304100     -0.9192000    
 C   -1.111500      -2.678400      0.5944000    
 C   -4.396000       2.659300     -0.7460000    
 C    2.246800      0.4991000      -1.532800    
 C   -3.185300       3.041700     -0.1829000    
 C   -3.564500      -3.291700     -0.5421000    
 C   -1.461400      -4.010500      0.3957000    
 C   -2.690500      -4.317600     -0.1738000    
 C    2.585400     -0.1215000       3.502300    
 C   0.8738000       1.679700       3.229600    
 C   -5.384700       3.693800      -1.166100    
 C    5.402900      -1.278800      -2.286500    
 H  -0.4041000     -0.1363000       1.986300    
 H   -1.335600       2.400100      0.6452000    
 H    4.021300       1.186000       1.285900    
 H   0.1757000     -1.5400000E-02  -1.613900    
 H   -5.640200       1.017300      -1.363700    
 H  -0.1443000      -2.474300       1.046100    
 H    2.358000      0.4361000      -2.612200    
 H   -2.940600       4.090600     -4.1700002E-02
 H   -4.521800      -3.558000     -0.9865000    
 H    4.553600       1.496200      -2.260600    
 H  -0.7791000      -4.804000      0.6847000    
 H   -2.973400      -5.354000     -0.3330000    
 H    2.177600     -0.1403000       4.518900    
 H    3.618100      0.2369000       3.563100    
 H    2.592600      -1.152900       3.133100    
 H    1.373200       2.239500       4.028300    
 H   1.4600000E-02   1.165300       3.671600    
 H   0.5085000       2.415200       2.504300    
 H   -6.409600       3.353200     -0.9837000    
 H   -5.269800       3.912100      -2.232500    
 H   -5.251700       4.624400     -0.6039000    
 H    5.349600     -0.8068000      -3.269300    
 H    6.172800      -2.053900      -2.291200    
 H    4.443700      -1.717400      -2.006900    


%chk=000149722-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149722

0 1
S 5.897073 0.305985 -1.152726
O 7.361339 0.902019 -1.555322
O 5.691081 -0.552480 0.227506
N -0.350921 -0.235417 0.971263
N 1.753025 0.051830 2.643490
N -4.274518 -1.038661 -0.603471
N 4.462552 1.941652 -0.997281
C -1.626243 -0.471600 0.414074
C -2.432999 0.578651 -0.130498
C -2.159300 -1.802987 0.471753
C 0.759261 0.414092 0.424070
C -3.750123 0.227039 -0.654266
C 1.903332 0.541225 1.296279
C -3.508329 -2.024707 -0.036478
C -2.054962 1.966783 -0.134567
C 3.104659 1.051914 0.788267
C 0.857568 0.834735 -0.933214
C 3.219507 1.445688 -0.582897
C -4.573876 1.260561 -1.225031
C -1.421349 -2.927683 0.981250
C -4.171677 2.594300 -1.251712
C 2.074419 1.315302 -1.434868
C -2.892953 2.935944 -0.674095
C -4.070677 -3.347064 0.039354
C -1.997648 -4.195831 1.034965
C -3.339730 -4.405897 0.569989
C 2.981194 -0.477315 3.282472
C 0.982186 0.945121 3.554996
C -5.042157 3.684235 -1.846044
C 5.375650 -0.905605 -2.574481
H -0.083598 -0.757361 1.822614
H -1.097514 2.266751 0.300732
H 3.988108 1.156151 1.422293
H -0.005360 0.728847 -1.596236
H -5.544613 0.947362 -1.622667
H -0.382618 -2.798806 1.306339
H 2.151350 1.599412 -2.492248
H -2.584388 3.988447 -0.657688
H -5.088661 -3.475353 -0.340877
H 4.449404 2.276219 -1.985685
H -1.420079 -5.042900 1.420618
H -3.778879 -5.408116 0.622165
H 2.693231 -1.084927 4.158760
H 3.669116 0.324603 3.632415
H 3.530685 -1.113623 2.570263
H 1.575105 1.837631 3.854108
H 0.704430 0.388169 4.467499
H 0.058624 1.291872 3.062592
H -5.993727 3.279816 -2.229325
H -4.527399 4.194480 -2.682521
H -5.279632 4.460014 -1.093414
H 5.532405 -0.369941 -3.520862
H 6.043507 -1.772158 -2.470158
H 4.324218 -1.168719 -2.393092


