%chk=000106978.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106978

0 1
 S    4.589900     -0.2270000     -6.6799998E-02
 O   -1.526400       2.805700      0.5817000    
 O    4.925100     -0.7436000      -1.581300    
 O    5.203400       1.084900      7.9700001E-02
 O    4.909900      -1.302800      0.8585000    
 O   -5.522000     -0.1983000     -0.7683000    
 O   -4.540500      -2.140600     -2.5400000E-02
 N   -1.296300      0.5023000      6.9499999E-02
 N   -2.120800     -0.5690000     -0.1782000    
 C   8.7800004E-02  0.3148000      4.1000001E-02
 C   0.6506000     -0.9137000      0.3870000    
 C   -3.430200       1.333400      0.2331000    
 C   -1.974000       1.699500      0.3300000    
 C    2.856700     -1.9500000E-02 -2.6300000E-02
 C   0.9093000       1.376200     -0.3387000    
 C    2.035100      -1.080900      0.3534000    
 C   -3.324400     -0.1119000     -8.8600002E-02
 C    2.293700       1.209000     -0.3724000    
 C  -0.2053000      -2.067800      0.7972000    
 C   -4.521700     -0.9505000     -0.2853000    
 H   -3.905800       1.889900     -0.5765000    
 H   -3.932000       1.486200       1.190200    
 H   0.5092000       2.336600     -0.6480000    
 H    2.467100      -2.043600      0.6144000    
 H    2.913500       2.044800     -0.6846000    
 H   0.4088000      -2.856400       1.250600    
 H  -0.9248000      -1.791600       1.575100    
 H  -0.6969000      -2.529400     -6.4800002E-02
 H    4.686200     -0.1170000      -2.304300    
 H   -6.341400     -0.7181000     -0.9118000    


%chk=000106978-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000106978

0 1
S 4.676656 -0.126343 -0.128333
O -1.532626 2.787554 0.817403
O 4.747279 -0.730227 -1.885265
O 5.387642 1.324635 -0.054503
O 5.150350 -1.327668 0.846899
O -5.802559 -0.209458 -0.412133
O -4.576561 -2.137705 -0.910173
N -1.351808 0.509804 0.079067
N -2.219035 -0.527842 -0.310903
C 0.068429 0.315342 0.042570
C 0.649933 -0.931161 0.434669
C -3.534336 1.356296 0.272298
C -2.056349 1.716253 0.445240
C 2.817064 0.060093 -0.073133
C 0.865476 1.414291 -0.369327
C 2.060097 -1.039120 0.352324
C -3.464226 -0.069460 -0.207071
C 2.265931 1.297416 -0.432225
C -0.149209 -2.112772 0.946436
C -4.606162 -0.941398 -0.551921
H -4.029353 2.030187 -0.448817
H -4.081363 1.465371 1.225466
H 0.389222 2.359490 -0.636871
H 2.558825 -1.967628 0.648529
H 2.899201 2.134127 -0.739911
H 0.518977 -2.845849 1.427663
H -0.909170 -1.801569 1.685028
H -0.695424 -2.613878 0.129716
H 5.709925 -0.891943 -2.109874
H -6.573026 -0.795240 -0.642748


