%chk=000072554.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072554

0 1
 S   -1.069700       2.192500     -0.8396000    
 S  -0.1143000       1.761900      0.9304000    
 O   -4.099000       1.156000     -0.7918000    
 O    1.598200     -0.5782000       2.209700    
 O   -3.303000     -0.1229000       3.406700    
 O    4.086800      -3.742900      0.2891000    
 N   -3.694700     -0.6452000      0.6112000    
 N    2.234500      -1.551500      0.2035000    
 C   -2.310600     -0.2532000      -1.351700    
 C    2.489000      0.8411000      0.5693000    
 C   -1.205600      0.5679000      -1.577100    
 C    1.600200       1.910800      0.4617000    
 C   -3.424900      0.1542000     -0.5033000    
 C    2.079100     -0.4660000       1.070400    
 C   -4.777900     -0.3866000       1.532400    
 C    1.853500      -2.903200      0.5447000    
 C   -2.376100      -1.513100      -1.946900    
 C    3.822100       1.001100      0.1912000    
 C  -0.1665000      0.1291000      -2.397600    
 C    2.044800       3.140600     -2.4100000E-02
 C   -1.336800      -1.951700      -2.767400    
 C    4.266500       2.230800     -0.2947000    
 C  -0.2321000      -1.130700      -2.992900    
 C    3.377800       3.300500     -0.4024000    
 C   -4.338400      0.5157000       2.670900    
 C    2.997300      -3.656800       1.198300    
 H   -5.614100      6.6100001E-02  0.9903000    
 H   -5.094700      -1.360800       1.919200    
 H    1.563500      -3.388800     -0.3930000    
 H   0.9851000      -2.877300       1.210600    
 H   -3.231500      -2.164900      -1.787200    
 H    4.530600      0.1805000      0.2733000    
 H   -3.098900      -1.446800      0.7981000    
 H    2.625700      -1.391900     -0.7206000    
 H   0.7041000      0.7521000      -2.588300    
 H    1.378900       3.996000     -0.1073000    
 H   -1.388000      -2.932300      -3.231400    
 H    5.304800       2.356100     -0.5873000    
 H   0.5774000      -1.472700      -3.631000    
 H    3.724900       4.258700     -0.7778000    
 H   -3.956500       1.470100       2.294200    
 H   -5.176500      0.7093000       3.347300    
 H    3.341600      -3.145800       2.103200    
 H    2.682600      -4.671600       1.460200    
 H   -3.050900      0.4806000       4.126400    
 H    4.795500      -4.233700      0.7390000    


%chk=000072554-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072554

0 1
S -1.458868 2.571016 -0.739935
S -0.318082 1.025525 0.615107
O -5.112502 0.958102 -0.568611
O 0.736127 -0.809623 1.981063
O -1.826945 -1.855061 2.011653
O 4.683939 -3.651230 2.575152
N -3.333139 -0.359380 0.171133
N 2.761684 -1.908676 1.796069
C -3.179554 0.683505 -2.031000
C 2.389625 0.188820 0.545966
C -2.039746 1.529243 -2.141830
C 1.433937 1.134548 0.048969
C -3.952849 0.464078 -0.738910
C 1.926621 -0.872779 1.481643
C -3.911225 -0.726722 1.470116
C 2.387943 -2.996565 2.710961
C -3.668199 0.043538 -3.198294
C 3.747688 0.297925 0.134930
C -1.394177 1.694230 -3.394316
C 1.860344 2.139480 -0.853147
C -3.026241 0.211081 -4.444226
C 4.161984 1.301272 -0.757496
C -1.881794 1.035964 -4.543256
C 3.207170 2.221413 -1.254787
C -2.786980 -0.863848 2.510028
C 3.605648 -3.389949 3.551080
H -4.642285 0.047040 1.762873
H -4.450713 -1.691415 1.387654
H 2.037179 -3.873765 2.133792
H 1.557581 -2.654853 3.350911
H -4.564268 -0.580942 -3.117537
H 4.500327 -0.393324 0.532323
H -2.415103 -0.768973 -0.031584
H 3.680350 -2.010905 1.358497
H -0.519971 2.349851 -3.460323
H 1.123456 2.857612 -1.229179
H -3.418491 -0.296307 -5.332259
H 5.212122 1.373361 -1.057438
H -1.377990 1.172868 -5.506197
H 3.514110 3.011646 -1.948641
H -2.301151 0.119943 2.668131
H -3.219846 -1.210233 3.470241
H 3.889903 -2.562241 4.232067
H 3.371101 -4.295759 4.144723
H -0.888966 -1.524548 2.104664
H 5.504044 -3.951863 3.037121


