%chk=000075447.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000075447

0 1
 S   -4.338500      -2.125300      9.2299998E-02
 O   0.8799000      -2.001200      0.2924000    
 O    2.233700       2.463100     -0.2992000    
 O   -5.020200      -2.079700      -1.391200    
 O   -3.683100      -3.416300      0.2230000    
 O   -5.328500      -1.689100       1.061900    
 N    1.671300      0.1965000     -2.0000001E-03
 N   -4.769200      0.8484000      2.4700001E-02
 C   -1.029200       1.015400     -1.7000000E-03
 C  -0.7321000     -0.3506000      4.0100001E-02
 C   -2.386600       1.427200     -6.9999998E-04
 C  -2.3499999E-02   1.986300     -4.4199999E-02
 C   -3.403900      0.4623000      2.7000001E-02
 C   -3.091700     -0.8942000      5.6699999E-02
 C   0.6755000     -0.8037000      9.8300003E-02
 C   -1.761000      -1.302400      6.6600002E-02
 C    1.398700       1.581100     -0.1035000    
 C   -2.696500       2.794700     -2.6799999E-02
 C  -0.3503000       3.349300     -6.8899997E-02
 C    3.057700     -0.2237000     -3.9999999E-04
 C   -1.683400       3.749300     -5.6699999E-02
 C    4.028800      0.6225000      0.5182000    
 C    3.397300      -1.466900     -0.5174000    
 C    5.715600      -1.028600      2.7999999E-03
 C    5.363900      0.2183000      0.5198000    
 C    4.732300      -1.871200     -0.5157000    
 C    7.143000      -1.461100      4.4999998E-03
 H   -1.510000      -2.358700      9.4800003E-02
 H   -3.712300       3.175500     -2.3900000E-02
 H   0.4194000       4.115900     -0.1012000    
 H   -1.932800       4.806400     -7.6300003E-02
 H   -5.055300       1.814600      4.1999999E-03
 H   -5.497500      0.1479000      1.8900000E-02
 H    3.806900       1.564200       1.007900    
 H    2.691400      -2.127100      -1.008800    
 H    6.119400      0.8762000      0.9412000    
 H    4.997300      -2.836500     -0.9392000    
 H   -4.415600      -2.289900      -2.141300    
 H    7.226000      -2.549900      9.0300001E-02
 H    7.632600      -1.143900     -0.9216000    
 H    7.685200      -1.031000      0.8535000    


%chk=000075447-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000075447

0 1
S -4.369170 -2.167831 0.309265
O 0.972594 -1.989039 0.214070
O 2.356020 2.469110 -0.286424
O -4.465168 -2.531747 -1.509933
O -3.786027 -3.471723 1.058165
O -5.815703 -1.560611 0.765774
N 1.677975 0.237303 -0.036953
N -4.830865 0.928936 0.090220
C -1.068959 1.091171 -0.053367
C -0.741145 -0.297182 0.084270
C -2.439782 1.534070 -0.055554
C -0.018640 2.053122 -0.178968
C -3.516188 0.550802 0.072707
C -3.110051 -0.809461 0.199672
C 0.662938 -0.770797 0.095298
C -1.768626 -1.237419 0.201353
C 1.414592 1.633604 -0.174133
C -2.707542 2.930267 -0.187025
C -0.314963 3.419209 -0.310550
C 3.072423 -0.198125 -0.026446
C -1.663799 3.857894 -0.314767
C 3.936879 0.240189 0.998307
C 3.546968 -1.061395 -1.035836
C 5.782931 -1.052152 0.000879
C 5.281043 -0.185662 1.005769
C 4.891814 -1.484978 -1.014516
C 7.238452 -1.485227 -0.000947
H -1.512257 -2.297654 0.308715
H -3.735105 3.310510 -0.189192
H 0.517574 4.123307 -0.406289
H -1.890787 4.923504 -0.415186
H -5.099194 1.902787 -0.015731
H -5.556370 0.218394 0.277865
H 3.564816 0.912995 1.776848
H 2.867779 -1.412595 -1.818363
H 5.948867 0.158627 1.804231
H 5.252892 -2.163370 -1.796472
H -4.999119 -3.372306 -1.621984
H 7.363981 -2.484234 -0.454068
H 7.860953 -0.778993 -0.584325
H 7.652670 -1.519200 1.022018


