%chk=000135661.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135661

0 1
 S   -6.051200     -0.5316000       1.873200    
 O   -7.079000      -1.280900       2.571600    
 O   -5.244700      0.4455000       2.577400    
 N  -0.2463000      0.2627000      -1.205400    
 N    3.333000       1.489300      0.5708000    
 N   -2.423300     -0.4443000      -2.898800    
 N   -5.057900      -1.643500       1.011200    
 C   0.9717000      0.6789000     -0.6004000    
 C    1.989400     -0.2532000     -0.3708000    
 C    3.183100      0.1890000      0.2281000    
 C    1.137100       2.018900     -0.2431000    
 C    4.209200     -0.7543000      0.4585000    
 C    2.353000       2.386200      0.3495000    
 C   -1.449900     -0.2128000     -0.6699000    
 C    4.033400      -2.113900      9.2100002E-02
 C    1.822200      -1.596200     -0.7300000    
 C   -2.527000     -0.5636000      -1.494800    
 C    2.835700      -2.518600     -0.5003000    
 C   0.1315000       2.977100     -0.4623000    
 C   -1.583800     -0.3423000      0.7186000    
 C    5.435400     -0.3899000       1.054400    
 C   -3.717000      -1.035300     -0.9405000    
 C   -3.840300      -1.160500      0.4433000    
 C    2.529900       3.719400      0.7102000    
 C    5.059500      -3.044900      0.3248000    
 C   -2.773700     -0.8140000       1.272800    
 C   0.3320000       4.303800     -9.3099996E-02
 C    1.534300       4.675400      0.4948000    
 C    6.446700      -1.326500       1.279800    
 C    6.258600      -2.653100      0.9150000    
 C   -2.579500      -1.608700      -3.745400    
 C   -2.173500      0.8463000      -3.506600    
 C   -6.848600      0.2955000      0.5152000    
 H  -0.1319000      8.1900001E-02  -2.197700    
 H   0.9127000      -1.963700      -1.198300    
 H    2.678600      -3.555100     -0.7906000    
 H  -0.8186000       2.721000     -0.9229000    
 H  -0.7705000     -8.3499998E-02   1.391700    
 H   -4.555200      -1.299900      -1.581400    
 H    5.623500      0.6392000       1.355100    
 H    3.463700       4.034800       1.172300    
 H    4.932400      -4.089400      4.6599999E-02
 H   -2.849800     -0.9183000       2.351900    
 H  -0.4450000       5.042500     -0.2638000    
 H    1.701700       5.707900      0.7868000    
 H    7.379900      -1.015800       1.740400    
 H    7.043400      -3.383000       1.089200    
 H   -5.565200      -2.305700      0.4088000    
 H   -3.634500      -1.888700      -3.829800    
 H   -2.020100      -2.461600      -3.345700    
 H   -2.203200      -1.415100      -4.756000    
 H   -2.879800       1.016500      -4.326900    
 H   -1.162400      0.8923000      -3.923900    
 H   -2.300100       1.673200      -2.799200    
 H   -6.102000      0.8393000     -6.5700002E-02
 H   -7.364200     -0.4448000     -9.9399999E-02
 H   -7.573800      0.9992000      0.9303000    


%chk=000135661-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000135661

0 1
S -6.676271 0.365248 1.347362
O -8.194604 -0.189566 1.553535
O -5.938001 1.274579 2.477507
N -0.259521 -0.188383 -0.906096
N 3.345518 1.368437 0.818886
N -2.066779 -1.175744 -2.653169
N -5.448020 -1.291539 1.047627
C 0.897960 0.338396 -0.289862
C 2.100081 -0.434130 -0.328613
C 3.314674 0.146364 0.222212
C 0.924907 1.652190 0.292298
C 4.568685 -0.614374 0.152536
C 2.184834 2.104920 0.864585
C -1.557698 -0.330865 -0.400467
C 4.572925 -1.925866 -0.434761
C 2.148497 -1.775889 -0.873018
C -2.524301 -0.893639 -1.311948
C 3.331896 -2.486440 -0.927107
C -0.189629 2.557957 0.287924
C -1.936692 -0.061415 0.944462
C 5.785282 -0.073200 0.656514
C -3.820029 -1.182200 -0.851232
C -4.186465 -0.954990 0.513090
C 2.247283 3.402162 1.478022
C 5.797006 -2.657217 -0.503058
C -3.227666 -0.370518 1.395288
C -0.089156 3.819197 0.874618
C 1.134826 4.240622 1.491454
C 6.979038 -0.807371 0.578648
C 6.986795 -2.106886 -0.004932
C -2.687718 -2.332621 -3.332041
C -1.970612 0.018655 -3.539138
C -6.663394 1.430535 -0.271293
H -0.137772 -0.750972 -1.763305
H 1.223695 -2.251572 -1.217563
H 3.344225 -3.504518 -1.334139
H -1.129749 2.256196 -0.181976
H -1.200656 0.342832 1.644468
H -4.559911 -1.606365 -1.541728
H 5.753589 0.925074 1.101752
H 3.205034 3.700137 1.915231
H 5.794459 -3.658698 -0.949527
H -3.517597 -0.196993 2.435364
H -0.950746 4.495420 0.863910
H 1.193578 5.229230 1.959418
H 7.909847 -0.381394 0.968718
H 7.922033 -2.674681 -0.061259
H -6.041286 -1.837479 0.388294
H -3.725692 -2.133151 -3.686587
H -2.709909 -3.197740 -2.649306
H -2.079269 -2.598668 -4.214733
H -2.974104 0.379935 -3.858417
H -1.387722 -0.236523 -4.442008
H -1.456865 0.840392 -3.013810
H -5.609266 1.604053 -0.527462
H -7.205189 0.852879 -1.032629
H -7.184781 2.359294 -0.000839


