%chk=000019656.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019656

0 1
 S    4.059300     -0.8531000     -0.4758000    
 O    4.576600      -2.173100     -0.1398000    
 O    4.306500     -0.3001000      -1.800500    
 O   -2.551500      0.8966000      -1.017200    
 O   -7.495600       1.165900     -0.4545000    
 O    4.196500       2.266100     -0.4675000    
 O   -6.848400     -0.4576000      0.9985000    
 N   -1.801400     -0.7942000      0.4332000    
 N    4.605300      0.2695000      0.6995000    
 C    2.334100     -0.8357000     -0.2086000    
 C  -0.4033000     -0.8082000      0.2160000    
 C    1.760200      -1.724700      0.7005000    
 C    1.529600      6.7199998E-02 -0.9037000    
 C   0.3819000      -1.710800      0.9141000    
 C   0.1512000      8.1000000E-02 -0.6900000    
 C   -4.148700     -0.2618000      0.3306000    
 C   -2.743400      3.0200001E-02 -0.1687000    
 C   -5.169000      0.6502000     -0.3388000    
 C    4.619500       1.690200      0.5286000    
 C   -6.570900      0.3771000      0.1472000    
 C    5.211500       2.425200       1.697000    
 H    2.369100      -2.431600       1.257100    
 H    1.954900      0.7717000      -1.612900    
 H  -5.4800000E-02  -2.406400       1.625300    
 H  -0.4032000      0.8094000      -1.262900    
 H   -4.167400     -0.1232000       1.418300    
 H   -4.381400      -1.313100      0.1230000    
 H   -2.140900      -1.470800       1.113600    
 H   -4.935200       1.699500     -0.1250000    
 H   -5.152100      0.5008000      -1.424600    
 H    5.007200     -0.1223000       1.561100    
 H    6.249700       2.114300       1.840800    
 H    5.186300       3.501700       1.507000    
 H    4.632700       2.210800       2.599400    
 H   -8.402100      0.9826000     -0.1271000    


%chk=000019656-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019656

0 1
S 4.133579 -0.900760 -0.461229
O 4.658060 -2.322077 0.133288
O 4.521231 -0.419771 -1.952437
O -2.621943 1.093367 -0.848982
O -7.715826 0.759231 -0.726596
O 3.807768 2.187931 0.000935
O -6.876457 0.500390 1.422119
N -1.882718 -0.782481 0.355188
N 4.870611 0.277515 0.794586
C 2.278346 -0.790840 -0.196581
C -0.480062 -0.742668 0.141261
C 1.693610 -1.796744 0.591171
C 1.549929 0.231381 -0.824072
C 0.298045 -1.764047 0.757405
C 0.151065 0.255953 -0.653625
C -4.277094 -0.230236 0.398045
C -2.867090 0.098163 -0.108721
C -5.354437 0.361289 -0.525654
C 4.652261 1.652476 0.771412
C -6.679903 0.530366 0.186055
C 5.516083 2.446398 1.750772
H 2.309692 -2.582998 1.038162
H 2.060332 0.996591 -1.414564
H -0.189116 -2.536868 1.364344
H -0.454373 1.034142 -1.119971
H -4.399638 0.207489 1.409192
H -4.414670 -1.322177 0.513758
H -2.216243 -1.552620 0.940831
H -5.015448 1.355476 -0.879451
H -5.504436 -0.244169 -1.436031
H 5.591165 -0.181754 1.364457
H 6.328940 2.938072 1.186558
H 4.895694 3.234795 2.206159
H 5.962743 1.826756 2.546033
H -8.566902 0.905729 -0.230616


