%chk=000019003.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019003

0 1
 S  -0.8170000       1.484600      0.4083000    
 O   -1.587400      -2.670900     -0.8369000    
 O   -5.234200      0.3887000     -0.9304000    
 O    2.638500      -1.118500       1.532800    
 O   -4.741900      -1.131600      0.6951000    
 N   -2.128400     -0.7533000      0.4282000    
 N   0.9997000     -0.9372000     -0.1027000    
 N    3.186900      -1.492400      -1.735100    
 C   -1.055600     -0.1398000       1.216500    
 C  -0.1461000      -1.284500      0.7497000    
 C   -2.969200      9.3300000E-02 -0.3938000    
 C   -2.618300       1.559300     -6.0300000E-02
 C   -1.374600      -1.795300     -2.9200001E-02
 C    3.322300     -0.4940000     -0.6727000    
 C   -3.391600       2.144500       1.129200    
 C   -2.776700       2.463100      -1.284300    
 C    3.003300      0.8983000      -1.237600    
 C    4.743000     -0.5572000     -9.1899998E-02
 C    2.307400     -0.8847000      0.3721000    
 C   -4.387000     -0.3012000     -0.1281000    
 C    3.291400       2.016700     -0.2341000    
 C    5.018600      0.5717000      0.9034000    
 C    4.716900       1.940100      0.3019000    
 H   -1.278600     -0.1107000       2.286900    
 H   0.1347000      -1.978000       1.552200    
 H   -2.745300     -0.1485000      -1.441600    
 H   0.8451000     -0.7646000      -1.093100    
 H   -3.011300       3.135400       1.405300    
 H   -4.452800       2.272200      0.8885000    
 H   -3.333700       1.504600       2.016900    
 H   -2.438500       3.484900      -1.075600    
 H   -2.204700       2.091000      -2.142300    
 H   -3.825000       2.528500      -1.595000    
 H    1.965400      0.9887000      -1.577600    
 H    3.624000       1.079400      -2.126700    
 H    5.477000     -0.4791000     -0.9061000    
 H    4.931800      -1.520900      0.3991000    
 H    2.583600       1.958700      0.6012000    
 H    3.133200       2.988800     -0.7152000    
 H    6.073700      0.5354000       1.200300    
 H    4.441100      0.4430000       1.824100    
 H    5.423900       2.145200     -0.5116000    
 H    4.869000       2.717700       1.059000    
 H    3.468800      -2.409600      -1.389800    
 H    3.826400      -1.274400      -2.498700    
 H   -6.170700      0.1446000     -0.7705000    


%chk=000019003-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019003

0 1
S -1.359688 1.725584 -0.531928
O -1.295902 -2.586330 -0.433006
O -5.761980 -0.560857 -0.328232
O 2.646200 -0.605716 1.628509
O -4.837856 -0.569568 1.807640
N -2.203747 -0.560074 0.561837
N 1.066119 -0.347757 -0.069206
N 2.797719 -0.301624 -2.011210
C -1.206422 0.489022 0.902415
C -0.069834 -0.599678 0.768782
C -3.398765 -0.182895 -0.193031
C -3.277776 1.365608 -0.573829
C -1.213331 -1.513807 0.187293
C 3.421078 -0.026107 -0.680496
C -3.961793 2.287487 0.459070
C -3.789187 1.628186 -2.000841
C 3.718140 1.506275 -0.611332
C 4.743575 -0.828515 -0.470939
C 2.364170 -0.370467 0.413340
C -4.691897 -0.461424 0.577064
C 4.499830 1.916749 0.655769
C 5.579628 -0.390594 0.757186
C 5.831448 1.135211 0.758211
H -1.332618 0.992516 1.870223
H 0.300554 -0.933549 1.755483
H -3.430963 -0.778336 -1.124900
H 1.002812 -0.187449 -1.089177
H -3.740944 3.340723 0.219588
H -5.060583 2.153547 0.433655
H -3.615240 2.087377 1.487423
H -3.692475 2.697089 -2.260524
H -3.227574 1.036863 -2.744621
H -4.857607 1.352479 -2.070241
H 2.768665 2.068502 -0.697220
H 4.332786 1.760214 -1.502891
H 5.346529 -0.679905 -1.392067
H 4.509937 -1.909955 -0.404716
H 3.888465 1.714318 1.555360
H 4.692682 3.006561 0.627004
H 6.543992 -0.935724 0.750012
H 5.038687 -0.673512 1.676271
H 6.482237 1.409495 -0.099603
H 6.372825 1.426327 1.678619
H 2.818503 -1.299325 -2.262872
H 3.200733 0.272181 -2.761265
H -6.604034 -0.737144 0.173194


