%chk=000005340.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005340

0 1
 S   0.4732000      -2.012500      0.1703000    
 S    2.505500       1.270400      -1.594900    
 O   4.1499998E-02  -3.203000     -0.5525000    
 O   0.9030000      -2.149700       1.556500    
 N    1.718000      -1.252200     -0.7466000    
 N   -3.950400       1.954000     -6.7599997E-02
 N    2.129400      0.5233000      0.8511000    
 C  -0.8256000     -0.8476000      0.1005000    
 C   -1.762300     -0.9086000     -0.9314000    
 C  -0.9265000      0.1440000       1.076300    
 C   -2.900700       1.013500     -1.1800000E-02
 C   -2.799800      2.2000000E-02 -0.9876000    
 C   -1.964200       1.074600       1.020200    
 C    2.086100      9.4599999E-02 -0.4020000    
 C    2.759600       2.427100     -0.3543000    
 C    2.513100       1.849900      0.8738000    
 H   -1.699200      -1.667300      -1.706400    
 H  -0.2260000      0.2010000       1.903800    
 H    1.777900      -1.479400      -1.746700    
 H   -3.522500     -3.4899998E-02  -1.797500    
 H   -2.035000       1.839500       1.789300    
 H   -4.628800       1.911500     -0.8165000    
 H   -4.022900       2.674300      0.6386000    
 H    3.067000       3.439300     -0.5743000    
 H    2.597800       2.357600       1.825000    


%chk=000005340-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005340

0 1
S 0.428886 -1.539678 -0.077983
S 4.326165 0.289841 -0.869635
O 0.219555 -2.895514 -0.961519
O 1.126901 -1.554974 1.391646
N 1.565007 -0.372468 -1.326314
N -4.816511 1.433059 0.218531
N 2.106030 1.475508 0.107688
C -1.173642 -0.618794 0.009066
C -2.216820 -1.013832 -0.849159
C -1.292534 0.445679 0.923415
C -3.607916 0.754152 0.146367
C -3.439621 -0.328106 -0.772328
C -2.517055 1.127834 0.992071
C 2.448435 0.469665 -0.699355
C 4.460228 1.721556 0.188784
C 3.207317 2.156806 0.607058
H -2.074129 -1.849975 -1.540956
H -0.447746 0.729771 1.557611
H 1.978037 -1.074726 -1.964481
H -4.270438 -0.625258 -1.422255
H -2.635130 1.959141 1.696212
H -5.596700 1.177325 -0.380252
H -4.944412 2.204816 0.867143
H 5.431357 2.162043 0.404356
H 3.042935 3.007528 1.269590


