%chk=000052768.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052768

0 1
 S   0.7295000      0.5334000       1.157000    
 O   -1.447100     -0.2830000      -1.630500    
 N   -3.439600      0.3538000      0.2624000    
 N   -4.934300       1.814300     -0.4276000    
 C   -2.681500     -0.8957000      0.3456000    
 C  -0.2795000      -1.705100     -0.1674000    
 C   -1.446600     -0.9241000     -0.5625000    
 C   0.7548000      -1.166200      0.5976000    
 C  -0.2192000      -3.035000     -0.5838000    
 C    1.849500      -1.957200      0.9462000    
 C   -3.238900       1.449400       1.031900    
 C   0.8756000      -3.826000     -0.2352000    
 C   -4.456100      0.6016000     -0.5978000    
 C    1.910000      -3.287100      0.5297000    
 C    2.211600       1.167900      0.3896000    
 C   -4.179400       2.348300      0.5866000    
 C    2.341100       1.142300     -0.9975000    
 C    3.234600       1.687400       1.179800    
 C    3.498900       1.638400      -1.596900    
 C    4.392400       2.183700      0.5805000    
 C    4.524400       2.159000     -0.8078000    
 H   -2.387600      -1.026700       1.392400    
 H   -3.352300      -1.712900      6.0300000E-02
 H   -1.018300      -3.467700      -1.180600    
 H    2.665800      -1.565500       1.548300    
 H   -2.483100       1.507400       1.802300    
 H   0.9225000      -4.861600     -0.5590000    
 H   -4.810300     -0.1187000      -1.322600    
 H    2.761500      -3.903700      0.8025000    
 H   -4.352100       3.352400      0.9457000    
 H    1.552400      0.7475000      -1.633000    
 H    3.149400       1.714100       2.263300    
 H    3.601300       1.620700      -2.678000    
 H    5.191100       2.589000       1.194700    
 H    5.425700       2.545600      -1.274500    


%chk=000052768-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052768

0 1
S 0.831047 0.854728 0.172834
O -2.863452 -1.501279 -1.204989
N -3.599656 0.771889 0.216371
N -5.587810 1.117166 1.257095
C -2.182724 0.466154 0.045224
C -0.569628 -1.575629 -0.482371
C -1.922335 -0.914998 -0.600668
C 0.684999 -0.972824 -0.137711
C -0.584528 -2.978673 -0.751986
C 1.850074 -1.775743 -0.059117
C -4.530985 1.066515 -0.788826
C 0.571172 -3.769531 -0.669516
C -4.289822 0.810019 1.431930
C 1.797371 -3.159614 -0.315404
C 2.653461 1.118987 0.311175
C -5.744000 1.278986 -0.131823
C 3.421499 1.336283 -0.856224
C 3.245162 1.196724 1.592716
C 4.800741 1.624021 -0.736221
C 4.624808 1.489430 1.704800
C 5.402215 1.701442 0.542364
H -1.701647 1.239664 -0.586750
H -1.688495 0.522857 1.032011
H -1.550317 -3.413981 -1.028533
H 2.807738 -1.315922 0.200482
H -4.263668 1.062408 -1.841286
H 0.520929 -4.843555 -0.873942
H -3.804325 0.619943 2.386890
H 2.713848 -3.755064 -0.239280
H -6.710463 1.528068 -0.563260
H 2.945543 1.281947 -1.840430
H 2.634409 1.032283 2.485994
H 5.399057 1.793277 -1.637806
H 5.086313 1.553370 2.695948
H 6.469669 1.930653 0.632008


