%chk=000059821.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059821

0 1
 S    2.056300       1.128900     -0.5138000    
 O   -1.553800      -1.700800      0.2096000    
 O   -5.250600       1.709000     -8.5199997E-02
 N    2.739700      -1.315100     -0.1603000    
 N  -0.4297000      0.3241000     -0.2050000    
 N    1.359100      -1.296000     -6.6399999E-02
 N   -6.349300     -0.2711000      0.3201000    
 C    4.663000      0.2033000     -0.5471000    
 C    5.338800      0.5613000      0.7918000    
 C    3.229900     -0.1161000     -0.3920000    
 C    6.822900      0.8530000      0.6356000    
 C   0.9051000     -9.2399999E-02 -0.2322000    
 C   -1.532000     -0.4925000      8.8000000E-03
 C   -2.795800      0.3057000     -3.0600000E-02
 C   -3.975400     -0.3006000      0.1540000    
 C   -5.228300      0.4991000      0.1125000    
 H    5.172600     -0.6666000     -0.9807000    
 H    4.805400       1.024700      -1.260400    
 H    4.847800       1.436900       1.233800    
 H    5.209100     -0.2643000       1.502500    
 H    7.351700     -1.6500000E-02  0.2326000    
 H    6.985800       1.698400     -4.0300000E-02
 H    7.265500       1.101600       1.605200    
 H  -0.5613000       1.320700     -0.3592000    
 H   -2.723800       1.373300     -0.2112000    
 H   -4.054900      -1.367200      0.3348000    
 H   -6.309800      -1.272500      0.4822000    
 H   -7.273500      0.1481000      0.3175000    


%chk=000059821-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059821

0 1
S 2.165660 1.276481 -0.268183
O -1.565921 -1.757740 -0.074946
O -5.373816 1.732556 0.227856
N 2.727374 -1.335618 -0.430343
N -0.473567 0.341960 -0.139577
N 1.325938 -1.286746 -0.335649
N -6.512748 -0.296433 0.286798
C 4.815867 0.053498 -0.498076
C 5.426392 0.720423 0.766324
C 3.332867 -0.153928 -0.415760
C 6.955824 0.879161 0.642417
C 0.861205 -0.044067 -0.246751
C -1.617264 -0.502153 -0.062258
C -2.882767 0.285674 0.035644
C -4.089405 -0.334306 0.115373
C -5.354930 0.463140 0.213060
H 5.269995 -0.942542 -0.650672
H 5.063173 0.667376 -1.386781
H 4.957422 1.711611 0.924333
H 5.177563 0.106326 1.652241
H 7.448753 -0.101700 0.508743
H 7.223254 1.512449 -0.224356
H 7.379927 1.348792 1.547922
H -0.652713 1.347831 -0.112379
H -2.862603 1.384793 0.044540
H -4.125067 -1.432264 0.107000
H -6.497709 -1.314963 0.274976
H -7.408202 0.186791 0.355105


