%chk=000005326.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005326

0 1
 S    1.446700      -2.115500     -0.1092000    
 O    2.503500      -2.811300      0.6155000    
 O    1.139000      -2.530700      -1.472300    
 O   -4.106900       1.151800     -0.4920000    
 N   1.5100000E-02  -2.172500      0.8478000    
 N   -1.682900      -1.557000     -0.6697000    
 N   -1.348100     -0.3195000       1.370900    
 N    2.780100       3.679100     -0.1394000    
 C    1.838800     -0.4142000     -0.1182000    
 C    2.665800      0.1161000      0.8720000    
 C    1.324000      0.4151000      -1.114700    
 C    2.463500       2.304800     -0.1312000    
 C    2.978000       1.475700      0.8656000    
 C    1.636400       1.774400      -1.121300    
 C   -1.070100      -1.297100      0.4951000    
 C   -3.087900      0.3298000     -0.1606000    
 C   -2.695600     -0.7172000     -0.9692000    
 C   -2.371100      0.4822000       1.008800    
 C   -4.428400       2.205900      0.4219000    
 H    3.071800     -0.5088000       1.662300    
 H   0.6774000      2.4599999E-02  -1.895400    
 H   0.1734000      -2.223700       1.862600    
 H    3.622100       1.877500       1.643600    
 H    1.228600       2.410200      -1.903100    
 H   -3.196600     -0.9194000      -1.910300    
 H   -2.566200       1.259500       1.738400    
 H    3.377900       4.065000      0.5793000    
 H    2.405300       4.280700     -0.8607000    
 H   -4.756600       1.807400       1.387700    
 H   -5.268100       2.762900     -5.5000000E-03
 H   -3.592500       2.905100      0.5309000    


%chk=000005326-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005326

0 1
S 1.205840 -1.627144 0.215566
O 2.070854 -2.605587 1.187474
O 0.540331 -2.170178 -1.160465
O -4.847225 1.246965 -0.281429
N -0.141771 -1.069245 1.415184
N -1.317778 0.278239 -0.142611
N -2.462596 -0.843208 1.702950
N 4.541972 3.272109 -0.956463
C 2.198837 -0.097302 -0.129261
C 3.324895 0.150263 0.676867
C 1.822507 0.732756 -1.200254
C 3.764386 2.154216 -0.681446
C 4.109504 1.280938 0.395968
C 2.612552 1.860307 -1.475741
C -1.350217 -0.539195 0.964834
C -3.705206 0.607224 0.201335
C -2.497406 0.825654 -0.516857
C -3.631317 -0.245577 1.331030
C -6.102087 1.017744 0.447789
H 3.585121 -0.539211 1.486161
H 0.929796 0.498931 -1.786467
H -0.208820 -1.753524 2.183010
H 4.994790 1.492218 1.006470
H 2.341142 2.523173 -2.305263
H -2.502350 1.464453 -1.406404
H -4.506117 -0.481988 1.945045
H 5.364297 3.486547 -0.399618
H 4.307380 3.895627 -1.723611
H -6.381814 -0.053278 0.433018
H -6.856493 1.607740 -0.091532
H -6.026603 1.371232 1.494319


