%chk=000131333.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131333

0 1
 S    1.681800       2.521100      0.1679000    
 S   -3.637500      0.7482000      -1.387200    
 O  -0.5848000      0.7868000      -1.780600    
 O    3.206200       2.997300     -0.1591000    
 O    1.431700       2.736000       1.579200    
 O   0.8006000       3.060000     -0.8477000    
 O  -0.2312000      0.7661000       2.611700    
 O    1.359800      -2.798200      0.1179000    
 O    3.867100      -1.376400     -0.6921000    
 O    2.693700      -1.613500      -2.620200    
 O   -3.946500      0.6937000       1.243100    
 N   0.6490000     -1.5600000E-02 -1.1300000E-02
 N   0.5802000     -0.8270000       1.104700    
 C    1.909400      0.7434000     -0.1114000    
 C   -2.897500     -0.9313000      -1.267100    
 C   -1.620200     -0.9060000     -0.3963000    
 C  -0.4862000      3.5399999E-02 -0.8086000    
 C    2.653100      0.5210000      -1.442700    
 C   0.2079000      -1.518000       3.273800    
 C   0.7367000      -2.692700       2.452200    
 C   0.1448000     -0.3586000       2.317100    
 C   0.9437000      -2.148000       1.065000    
 C   -2.508200      -1.353600      -2.695500    
 C   -3.948100      -1.913600     -0.7322000    
 C    3.043600     -0.9229000      -1.673800    
 C   -3.447600       1.266100      0.2817000    
 C   -2.601500       2.500600      0.4117000    
 H    2.567900      0.4253000      0.7087000    
 H   -1.892200     -0.7203000      0.6465000    
 H   -1.213700      -1.925400     -0.4254000    
 H    2.032600      0.8391000      -2.288400    
 H    3.582600       1.094900      -1.507800    
 H  -0.7918000      -1.726600       3.666100    
 H   0.8809000      -1.277600       4.102000    
 H    1.687300      -3.059400       2.850300    
 H   1.3800000E-02  -3.513300       2.422500    
 H   -1.999400      -2.325300      -2.686600    
 H   -3.396900      -1.470300      -3.328800    
 H   -1.847200     -0.6469000      -3.204900    
 H   -3.549300      -2.935000     -0.7247000    
 H   -4.852100      -1.923300      -1.352300    
 H   -4.244300      -1.682400      0.2958000    
 H    3.373200       3.276500      -1.090100    
 H    4.128800      -2.310500     -0.8375000    
 H   -2.615400       3.113100     -0.4940000    
 H   -2.998100       3.112600       1.227800    
 H   -1.574300       2.220900      0.6492000    


%chk=000131333-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131333

0 1
S 2.755174 2.121078 0.348149
S -3.464972 0.676706 -1.037177
O -0.044065 0.592469 -2.054211
O 4.571238 1.532148 0.351914
O 2.298040 2.335422 1.894460
O 2.643926 3.370053 -0.679659
O -0.785339 1.482548 1.540243
O 1.824554 -2.426007 1.584447
O 3.584519 -1.549413 -3.332139
O 1.589589 -2.089458 -2.279477
O -3.232959 -0.445330 1.477336
N 0.884026 -0.200904 -0.063411
N 0.546425 -0.455149 1.277171
C 2.226325 0.083276 -0.323731
C -2.632023 -0.996621 -1.578689
C -1.287984 -1.178965 -0.831599
C -0.191063 -0.156397 -1.069283
C 2.771826 0.037885 -1.739808
C -0.397701 -0.123993 3.425961
C 0.514001 -1.379133 3.454034
C -0.271697 0.461664 2.028523
C 1.058485 -1.550454 2.037219
C -2.487188 -0.879206 -3.110911
C -3.575693 -2.163696 -1.209237
C 2.551335 -1.305951 -2.429777
C -3.595291 0.553216 0.801500
C -4.126987 1.831812 1.414285
H 2.892665 -0.336192 0.441239
H -1.501028 -1.294651 0.242841
H -0.833462 -2.137000 -1.167648
H 2.294834 0.810613 -2.371210
H 3.850724 0.254081 -1.694472
H -1.462754 -0.364980 3.590917
H -0.103489 0.641656 4.162209
H 1.370075 -1.264887 4.141606
H -0.019787 -2.298687 3.747359
H -1.987704 -1.789543 -3.494472
H -3.481454 -0.806833 -3.585935
H -1.880775 -0.008422 -3.401336
H -3.137294 -3.117237 -1.564036
H -4.555361 -2.034598 -1.700065
H -3.730724 -2.233095 -0.120098
H 5.146139 2.314953 0.584125
H 3.411132 -2.400869 -3.819506
H -4.714784 2.429726 0.699495
H -4.736677 1.594543 2.302378
H -3.254375 2.430223 1.739076


