%chk=000095776.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095776

0 1
 S  -0.2198000      3.4000002E-02   2.962500    
 P  -0.1055000     -2.3100000E-02  0.9967000    
 O   -4.358400      0.3615000     -0.3501000    
 O    2.113000      -3.391700     -0.9473000    
 N   -1.565200      9.6299998E-02  0.2147000    
 N   0.4967000      -1.448800      0.3958000    
 C   -2.267400       1.381900      0.3252000    
 C   -2.512900      -1.007400      0.4195000    
 C   0.4785000      -1.606500      -1.064800    
 C    1.792500      -1.891600      0.9279000    
 C   0.9371000       1.250800      0.2644000    
 C   -3.461400       1.437700     -0.6199000    
 C   -3.702000     -0.8930000     -0.5263000    
 C   0.8340000      -3.032300      -1.467700    
 C    2.114200      -3.311200      0.4771000    
 C   0.7234000       1.606300      -1.049000    
 C    1.916900       1.830500       1.039700    
 C    1.531000       2.592300      -1.616000    
 C    2.724200       2.816700      0.4727000    
 C    2.531300       3.197600     -0.8552000    
 H   -1.613900       2.228800      0.1029000    
 H   -2.620400       1.513500       1.355600    
 H   -2.875200     -0.9894000       1.454700    
 H   -2.042600      -1.982100      0.2598000    
 H    1.222900     -0.9445000      -1.519400    
 H  -0.4936000      -1.370500      -1.504400    
 H    1.797100      -1.880500       2.021200    
 H    2.582300      -1.212000      0.5858000    
 H   -4.010900       2.372800     -0.4720000    
 H   -3.147000       1.400200      -1.670100    
 H   -3.396200      -1.003800      -1.573800    
 H   -4.429200      -1.681900     -0.3088000    
 H   8.0600001E-02  -3.749600      -1.119600    
 H   0.8859000      -3.110600      -2.558500    
 H    3.112100      -3.596300      0.8254000    
 H    1.400600      -4.036600      0.8865000    
 H  -4.5200001E-02   1.151600      -1.663400    
 H    2.102000       1.540000       2.066500    
 H    1.381400       2.888500      -2.650200    
 H    3.506400       3.284600       1.063400    
 H    3.160700       3.964300      -1.297200    


%chk=000095776-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000095776

0 1
S 0.282619 -0.015070 3.075745
P 0.129687 0.029400 0.985293
O -4.302138 0.202918 -0.391317
O 1.712965 -3.914747 -0.876969
N -1.488347 0.093315 0.244064
N 0.729468 -1.469254 0.264231
C -2.252501 1.364183 0.411388
C -2.370723 -1.081305 0.508400
C 0.790208 -1.625103 -1.209891
C 1.760588 -2.260126 0.976560
C 0.984734 1.507315 0.213617
C -3.418529 1.361760 -0.592960
C -3.532515 -1.047864 -0.498074
C 0.677889 -3.124392 -1.554762
C 1.606021 -3.738302 0.584728
C 0.789802 1.842163 -1.150213
C 1.885827 2.251091 1.009973
C 1.500707 2.925684 -1.712134
C 2.596215 3.331851 0.441058
C 2.406760 3.669310 -0.919510
H -1.593444 2.228009 0.216188
H -2.647918 1.450878 1.446718
H -2.766888 -1.046355 1.546497
H -1.780595 -2.006955 0.390364
H 1.744045 -1.220405 -1.615189
H -0.053608 -1.080030 -1.669738
H 1.622872 -2.128067 2.065402
H 2.782345 -1.914549 0.703990
H -4.059980 2.247446 -0.452337
H -3.015029 1.353072 -1.629368
H -3.134109 -1.157093 -1.530785
H -4.255618 -1.854376 -0.292267
H -0.330145 -3.495383 -1.264395
H 0.837188 -3.291042 -2.633521
H 2.418230 -4.348337 1.012887
H 0.622882 -4.118230 0.937055
H 0.075449 1.276884 -1.758633
H 2.007205 1.980364 2.066051
H 1.347028 3.189285 -2.764332
H 3.291958 3.909805 1.058974
H 2.957397 4.508752 -1.358488


