%chk=000149776.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149776

0 1
 S    5.923500      0.9687000      0.7927000    
 O    2.082500     -0.9254000      -2.710200    
 O    7.289200      0.7252000       1.218300    
 O    5.646000       1.489900     -0.5310000    
 N  -0.1916000     -0.7612000      -1.060300    
 N   -3.979400     -0.6002000      0.7272000    
 N    4.995600     -0.4486000       1.103400    
 N   -4.697700       5.196900      0.3682000    
 C   -1.476200     -0.7069000     -0.4545000    
 C   -2.117000      0.5263000     -0.2981000    
 C   -2.088300      -1.886800     -1.9700000E-02
 C   -3.385400      0.5332000      0.3064000    
 C   -3.357900      -1.785500      0.5740000    
 C    1.103900     -0.6853000     -0.5323000    
 C   -1.525200       1.727600     -0.7258000    
 C   -1.467400      -3.139800     -0.1641000    
 C    2.227600     -0.7677000      -1.363900    
 C   -4.028400       1.758000      0.4650000    
 C    1.284000     -0.5239000      0.8468000    
 C    3.681800     -0.5294000      0.5507000    
 C   -3.972500      -2.956500       1.009000    
 C    3.511700     -0.6902000     -0.8246000    
 C    2.568000     -0.4463000       1.386300    
 C   -2.189000       2.938900     -0.5556000    
 C   -3.443200       2.953700      4.1099999E-02
 C   -2.103300      -4.295600      0.2792000    
 C   -3.358500      -4.203400      0.8668000    
 C    5.203900       2.081600       1.979300    
 C   -4.135000       4.190900      0.2215000    
 C    1.998100      0.2617000      -3.495600    
 H  -0.2360000     -0.9153000      -2.063200    
 H  -0.5477000       1.751300      -1.200200    
 H  -0.4885000      -3.248300     -0.6236000    
 H   -5.012900       1.779300      0.9322000    
 H   0.4362000     -0.4553000       1.523600    
 H   -4.956200      -2.910600       1.472800    
 H    4.374800     -0.7692000      -1.481300    
 H    2.688800     -0.3195000       2.459100    
 H   -1.716600       3.857800     -0.8933000    
 H   -1.622300      -5.262200      0.1654000    
 H   -3.863600      -5.099200       1.215900    
 H    5.068200     -0.8164000       2.061600    
 H    5.295200       1.646900       2.976400    
 H    5.757600       3.022300       1.935400    
 H    4.158900       2.259500       1.720800    
 H    2.925200      0.8382000      -3.416600    
 H    1.147600      0.8760000      -3.184100    
 H    1.855000     -2.8400000E-02  -4.540100    


%chk=000149776-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149776

0 1
S 5.908025 1.724424 0.469544
O 1.984991 -1.339782 -2.274082
O 7.310695 1.923278 1.267401
O 5.867104 1.409837 -1.129531
N -0.166953 -0.974475 -0.824617
N -4.225907 -0.664605 0.584523
N 4.936135 0.132010 1.361781
N -4.141060 5.055136 2.153163
C -1.484074 -0.845149 -0.332892
C -2.003940 0.395376 0.159255
C -2.354425 -1.984173 -0.399247
C -3.382438 0.413613 0.640617
C -3.733550 -1.828286 0.052613
C 1.045205 -0.622394 -0.211064
C -1.273502 1.635425 0.135079
C -1.924657 -3.275755 -0.862172
C 2.236680 -0.833537 -0.988559
C -3.921486 1.633798 1.173681
C 1.182047 -0.147940 1.119412
C 3.629906 -0.072202 0.871607
C -4.628173 -2.951489 -0.036347
C 3.505143 -0.579673 -0.459207
C 2.451084 0.160307 1.641134
C -1.827622 2.808487 0.627937
C -3.163593 2.808788 1.180521
C -2.818316 -4.343196 -0.928995
C -4.186389 -4.177028 -0.524990
C 4.860126 3.333344 0.716401
C -3.706139 4.031587 1.712817
C 3.141986 -1.574879 -3.150336
H -0.038269 -1.509874 -1.690320
H -0.268391 1.656590 -0.293702
H -0.876752 -3.434740 -1.139101
H -4.946518 1.607686 1.553073
H 0.292424 -0.016844 1.741025
H -5.657327 -2.794746 0.299947
H 4.419530 -0.755870 -1.029420
H 2.535737 0.545576 2.664452
H -1.266639 3.747267 0.595586
H -2.474133 -5.322642 -1.277988
H -4.874989 -5.026277 -0.588493
H 4.964859 0.399872 2.366640
H 4.920872 3.586440 1.783639
H 5.343220 4.086908 0.078932
H 3.839802 3.098359 0.383402
H 3.799554 -2.358441 -2.730009
H 3.716722 -0.642064 -3.295407
H 2.716896 -1.911247 -4.106703


