%chk=000049219.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049219

0 1
 S    2.648500      0.4325000      0.6267000    
 O   -1.035300       1.134200      -1.936800    
 O   -1.335200     -0.8219000       2.321500    
 O   -4.173600      -2.094400      -1.052000    
 N   -2.666300     -0.4081000      -1.464500    
 N   -2.816600      -1.384800      0.6629000    
 C   -1.470900      0.6495000      0.3989000    
 C  -1.7100001E-02   1.052100      0.6862000    
 C   -2.410900       1.780800      0.8522000    
 C   -1.665800      0.4823000      -1.104900    
 C   -1.829600     -0.5852000       1.219600    
 C   0.9360000     -5.9799999E-02  0.2805000    
 C   -2.152000       3.046700      6.6699997E-02
 C   -3.292700      -1.336800     -0.6418000    
 C    3.475400      -1.065500      4.4500001E-02
 C    4.995700      -1.003500      0.1900000    
 C    5.646600      0.1163000     -0.6265000    
 C    7.163600      6.5800004E-02 -0.5232000    
 H   0.1076000       1.281900       1.753200    
 H   0.2703000       1.952700      0.1325000    
 H   -3.461700       1.491800      0.7206000    
 H   -2.280600       1.981300       1.923400    
 H   0.7414000     -0.9831000      0.8326000    
 H   0.8627000     -0.2803000     -0.7883000    
 H   -2.817200       3.831300      0.4485000    
 H   -2.390600       2.954900     -0.9958000    
 H   -1.139600       3.439500      0.1798000    
 H   -2.913100     -0.4399000      -2.449700    
 H   -3.174100      -2.136800       1.245500    
 H    3.100100      -1.918400      0.6199000    
 H    3.216100      -1.228800      -1.007100    
 H    5.407800      -1.967400     -0.1347000    
 H    5.264100     -0.8933000       1.248400    
 H    5.311600       1.099300     -0.2795000    
 H    5.356200      2.5000000E-02  -1.679600    
 H    7.610600      0.8721000      -1.113200    
 H    7.551500     -0.8857000     -0.9006000    
 H    7.489900      0.1830000      0.5152000    


%chk=000049219-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049219

0 1
S 2.691557 0.412273 0.521526
O -1.327803 1.116102 -2.061965
O -1.544959 -0.599974 2.457548
O -4.193251 -2.359190 -0.933126
N -2.808653 -0.542799 -1.438231
N -2.874088 -1.418754 0.754020
C -1.542509 0.677366 0.353844
C -0.038565 1.020846 0.555556
C -2.459936 1.888799 0.836112
C -1.843356 0.440886 -1.134342
C -1.946694 -0.492288 1.271132
C 0.908064 -0.140078 0.205074
C -2.163506 3.248262 0.173655
C -3.358728 -1.497076 -0.564166
C 3.569930 -1.126675 -0.168410
C 5.082347 -1.055244 0.104532
C 5.805446 0.108263 -0.613689
C 7.327611 0.100172 -0.358162
H 0.103845 1.308517 1.613003
H 0.204418 1.887414 -0.081859
H -3.520199 1.614134 0.665581
H -2.316576 1.961428 1.930905
H 0.712583 -1.026356 0.834241
H 0.827393 -0.410726 -0.863079
H -2.913890 3.986238 0.510901
H -2.206004 3.192370 -0.927276
H -1.169018 3.633243 0.455969
H -3.090319 -0.627741 -2.420700
H -3.218622 -2.139813 1.396728
H 3.121762 -2.006066 0.328391
H 3.361431 -1.176926 -1.252944
H 5.531839 -2.015847 -0.223679
H 5.255838 -0.984517 1.196929
H 5.374707 1.071995 -0.279462
H 5.607279 0.041068 -1.702762
H 7.827690 0.936708 -0.879508
H 7.786962 -0.842220 -0.712945
H 7.548772 0.195508 0.721760


