%chk=000062296.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062296

0 1
 S    6.236500     -0.3082000       1.612300    
 O   -3.400100      -2.836900      0.5029000    
 N    1.627000     -0.1403000     -0.4140000    
 N   -2.537900     -0.6534000      0.1717000    
 C   -1.148600      -1.008100     -1.4900000E-02
 C  -0.6196000     -0.5804000      -1.399700    
 C  -0.3043000     -0.3751000       1.096200    
 C   0.9011000     -0.8154000      -1.497900    
 C    1.186800     -0.6333000      0.8959000    
 C   -1.321300      -1.327000      -2.539900    
 C    3.069700     -0.3261000     -0.5709000    
 C    3.844100      0.4718000      0.4801000    
 C   -2.911400      0.7581000      0.1039000    
 C   -3.561800      -1.616800      0.4190000    
 C   -4.970500      -1.042200      0.5398000    
 C    5.333900      0.3037000      0.3107000    
 C   -2.885900       1.474400       1.263000    
 C   -3.260800       1.260100      -1.114000    
 C   -6.020100      -2.107500      0.8177000    
 C   -3.243700       2.821100       1.198000    
 C   -3.618500       2.606700      -1.179000    
 C    6.079200      0.5893000     -0.7899000    
 C   -3.610000       3.387300     -2.3000000E-02
 C    7.455500      0.2966000     -0.5667000    
 C    7.680700     -0.1983000      0.6990000    
 H   -1.055600      -2.098700      7.0200004E-02
 H  -0.7755000      0.4942000      -1.551900    
 H  -0.4294000      0.7126000       1.130100    
 H  -0.6177000     -0.7624000       2.073600    
 H    1.114800      -1.893200      -1.490600    
 H    1.246500     -0.4264000      -2.464600    
 H    1.398700      -1.704500       1.009300    
 H    1.674100     -0.1117000       1.722900    
 H   -2.408800      -1.241300      -2.498400    
 H  -0.9927000     -0.9404000      -3.510600    
 H   -1.081600      -2.396000      -2.509700    
 H    3.366900      2.0500001E-02  -1.569000    
 H    3.340100      -1.389400     -0.5121000    
 H    3.603100       1.539500      0.3923000    
 H    3.586100      0.1721000       1.499300    
 H   -5.002700     -0.3207000       1.361700    
 H   -5.239500     -0.5403000     -0.3947000    
 H   -2.617700       1.034700       2.217800    
 H   -3.299300      0.6651000      -2.016700    
 H   -6.052400      -2.848200      1.1700000E-02
 H   -5.806300      -2.636000       1.752700    
 H   -7.011700      -1.652100      0.9019000    
 H   -3.241200       3.427700       2.098900    
 H   -3.910000       3.046200      -2.128600    
 H    5.683500      0.9905000      -1.713900    
 H   -3.890900       4.435200     -7.3200002E-02
 H    8.240800      0.4425000      -1.296900    
 H    8.624300     -0.5001000       1.131100    


%chk=000062296-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000062296

0 1
S 6.326613 -1.082787 0.806721
O -3.233353 -2.751001 0.554241
N 1.673416 -0.361636 -0.275935
N -2.643891 -0.518725 0.213575
C -1.193748 -0.890356 0.134228
C -0.597374 -0.740560 -1.294072
C -0.344132 -0.106052 1.159306
C 0.894346 -1.157444 -1.256816
C 1.129243 -0.551267 1.091846
C -1.356986 -1.584380 -2.338355
C 3.127882 -0.627617 -0.365092
C 3.976544 0.511051 0.266438
C -3.022512 0.878016 0.142567
C -3.587726 -1.536965 0.435493
C -5.061158 -1.111524 0.519830
C 5.456145 0.327310 0.059272
C -3.285426 1.601605 1.333110
C -3.126906 1.535389 -1.108865
C -6.016667 -2.312656 0.398259
C -3.652714 2.963813 1.273142
C -3.487976 2.900396 -1.166261
C 6.342957 1.095603 -0.681508
C -3.753398 3.618000 0.022879
C 7.703478 0.606986 -0.679271
C 7.873246 -0.547228 0.065334
H -1.179975 -1.966615 0.398141
H -0.624808 0.331328 -1.577476
H -0.397353 0.979005 0.951930
H -0.735230 -0.280935 2.179821
H 0.952690 -2.256592 -1.031898
H 1.336322 -1.004313 -2.259402
H 1.209875 -1.625631 1.407319
H 1.724272 0.045221 1.805914
H -2.424941 -1.306273 -2.383865
H -0.924867 -1.450253 -3.347760
H -1.313793 -2.659482 -2.083601
H 3.399489 -0.704317 -1.434330
H 3.405698 -1.603383 0.109981
H 3.666909 1.464978 -0.198403
H 3.747193 0.591956 1.346935
H -5.221828 -0.596704 1.488365
H -5.277747 -0.353959 -0.256614
H -3.194781 1.090647 2.298245
H -2.940394 0.973415 -2.029471
H -5.923733 -2.794778 -0.590463
H -5.778922 -3.077420 1.155863
H -7.063883 -1.986509 0.532670
H -3.855230 3.513831 2.198842
H -3.567543 3.400070 -2.138101
H 6.026971 1.995766 -1.216036
H -4.036337 4.675322 -0.023610
H 8.522515 1.097389 -1.211296
H 8.775426 -1.130232 0.241131


