%chk=000005319.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005319

0 1
 S   0.9489000       1.933400      0.3836000    
 O   0.9326000       2.710100     -0.8409000    
 O    1.284500       2.558300       1.648400    
 O   -1.018600      0.7894000      -1.729000    
 N  -0.5412000       1.100200      0.5433000    
 N    4.723100      -2.603300     -0.3455000    
 C    2.071200      0.5854000      0.1666000    
 C    2.339500      0.1283000      -1.112200    
 C    2.660300      1.0200000E-02   1.279400    
 C   -1.359100      0.6232000     -0.5479000    
 C   -2.591200     -6.1799999E-02 -0.1915000    
 C    3.827100      -1.527800     -0.1732000    
 C    3.224100     -0.9365000      -1.283400    
 C    3.545200      -1.054400       1.108300    
 C   -3.673100     -5.4900002E-02  -1.072000    
 C   -2.691100     -0.7264000       1.030900    
 C   -4.854800     -0.7124000     -0.7300000    
 C   -3.872700      -1.384000       1.372700    
 C   -4.954600      -1.377100      0.4924000    
 H  -0.9114000       1.047100       1.500200    
 H    1.877700      0.5726000      -1.988400    
 H    2.447700      0.3581000       2.285500    
 H    3.435200      -1.296900      -2.287000    
 H    4.007300      -1.507900       1.981500    
 H   -3.615700      0.4605000      -2.027300    
 H   -1.862500     -0.7815000       1.731000    
 H   -5.697500     -0.7067000      -1.415100    
 H   -3.948500      -1.907600       2.321400    
 H   -5.874000      -1.890500      0.7578000    
 H    5.158500      -3.033400      0.4596000    
 H    4.926400      -2.948800      -1.273900    


%chk=000005319-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005319

0 1
S 0.993383 1.835245 0.609275
O 0.937251 2.928938 -0.578053
O 1.214859 2.291089 2.156801
O -0.724353 0.185482 -1.409098
N -0.674776 0.996493 0.769741
N 5.017239 -2.479652 -0.683816
C 2.186471 0.473162 0.195747
C 2.370691 0.103990 -1.149907
C 2.909976 -0.098321 1.259510
C -1.296873 0.340908 -0.288004
C -2.683623 -0.179230 -0.007437
C 4.078623 -1.499937 -0.390413
C 3.322828 -0.886119 -1.438074
C 3.858941 -1.089589 0.961421
C -3.509463 -0.459959 -1.126020
C -3.177038 -0.413326 1.302972
C -4.818868 -0.947639 -0.936949
C -4.486486 -0.907161 1.489136
C -5.312314 -1.168717 0.371051
H -1.160374 1.307033 1.618845
H 1.772095 0.568344 -1.937971
H 2.743700 0.243516 2.286105
H 3.481866 -1.195490 -2.477137
H 4.438575 -1.546807 1.771330
H -3.101579 -0.291156 -2.127937
H -2.537389 -0.251745 2.178736
H -5.453702 -1.155980 -1.804952
H -4.859222 -1.094141 2.502021
H -6.329317 -1.548957 0.517864
H 5.561359 -2.920129 0.052674
H 5.180819 -2.775245 -1.642164