%chk=000091355.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091355

0 1
 S   -5.762300      0.8528000      0.1626000    
 S    4.367300       2.100000      0.7229000    
 O   -1.097800       1.569200      -1.731300    
 O   -6.556900      0.1108000      -1.058400    
 O   -6.255000      0.2735000       1.403800    
 O   -5.826700       2.288300     -6.3000001E-02
 O    3.805200       3.069900     -0.4671000    
 O    3.448900       2.229300       1.845000    
 O    5.786900       2.369100      0.8920000    
 N    1.765800      -2.291300      1.6300000E-02
 C   -1.402600     -0.3725000     -0.3263000    
 C   -2.273100      -1.157100      0.4670000    
 C   0.4155000      -1.911800      0.1669000    
 C  -6.0899999E-02 -0.7634000     -0.4660000    
 C   -3.614600     -0.7659000      0.6073000    
 C   -4.091000      0.3826000     -2.5500000E-02
 C   -1.899200      0.7805000     -0.9559000    
 C   -1.776400      -2.309900       1.096900    
 C  -0.4406000      -2.683500      0.9470000    
 C   -3.234900       1.154300     -0.8056000    
 C    2.946000      -1.552800     -0.1952000    
 C    3.058500     -0.2543000      0.3053000    
 C    4.228000      0.4767000      9.5899999E-02
 C    4.006800      -2.117700     -0.9056000    
 C    5.286800     -8.9699998E-02 -0.6141000    
 C    5.176100      -1.386800      -1.114900    
 H   0.6173000     -0.2034000      -1.103600    
 H   -4.285100      -1.373900       1.211300    
 H   -2.427300      -2.928100       1.711700    
 H  -8.0499999E-02  -3.579800       1.445800    
 H   -3.592600       2.047500      -1.311200    
 H    1.915500      -3.295000      6.9600001E-02
 H    2.243100      0.1860000      0.8725000    
 H    3.932500      -3.127200      -1.302200    
 H    6.204200      0.4627000     -0.7965000    
 H    5.999600      -1.827000      -1.669600    
 H  -0.1829000       1.533300      -1.411000    
 H   -6.524500     -0.8747000      -1.046500    
 H    2.861800       2.928600     -0.7173000    


%chk=000091355-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000091355

0 1
S -5.687570 0.856989 0.264664
S 3.520072 2.262540 0.115444
O -0.730617 1.820571 -0.945068
O -6.164916 0.419830 -1.481217
O -6.481216 -0.122854 1.279126
O -5.801264 2.463962 0.421295
O 4.134246 2.746299 -1.562491
O 1.889793 2.338893 0.150254
O 4.350691 3.103935 1.211992
N 1.868797 -2.607248 0.121083
C -1.239687 -0.471179 -0.099796
C -2.224551 -1.372925 0.459882
C 0.518622 -2.172348 0.204513
C 0.097157 -0.921503 -0.282684
C -3.589952 -0.963163 0.561076
C -3.903217 0.318140 0.126151
C -1.631122 0.877212 -0.460594
C -1.787050 -2.671702 0.885905
C -0.451184 -3.054451 0.793084
C -2.974294 1.262644 -0.371387
C 2.992019 -1.778736 -0.044194
C 2.910341 -0.397917 0.273847
C 3.972751 0.433792 -0.067047
C 4.233403 -2.275837 -0.537167
C 5.200156 0.001180 -0.587524
C 5.316937 -1.401186 -0.773666
H 0.782892 -0.286708 -0.846198
H -4.357447 -1.625320 0.973571
H -2.523577 -3.361764 1.311987
H -0.133108 -4.034819 1.167547
H -3.274631 2.279585 -0.636270
H 2.031954 -3.614097 0.174178
H 2.021249 0.014859 0.750440
H 4.341216 -3.342318 -0.766748
H 5.993987 0.692847 -0.876185
H 6.255153 -1.807562 -1.164850
H 0.186313 1.809503 -0.540882
H -7.085429 0.783943 -1.634247
H 4.103985 3.746214 -1.614824


