%chk=000002546.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002546

0 1
 S    3.128900      0.2662000      0.8053000    
 O   0.4813000       1.054600     -0.8882000    
 O   -3.152800       2.278000     -0.5564000    
 O   -2.977100      0.1906000      -1.455300    
 O    5.370900       1.214100      0.9109000    
 N  -0.9475000     -0.3342000      0.2893000    
 N    4.678300      0.5454000      0.1371000    
 C   -1.913200      0.6932000      0.6566000    
 C   -2.755100      5.7399999E-02   1.756900    
 C   -2.705400      -1.432200       1.425900    
 C   -1.297700      -1.622500      0.8818000    
 C   0.2196000     -4.6500001E-02 -0.4012000    
 C    1.188500      -1.193000     -0.5454000    
 C   -2.727800      0.9909000     -0.5661000    
 C    2.622300     -0.6813000     -0.6644000    
 C   0.7868000      -1.980600      -1.786800    
 H   -1.384200       1.595000      0.9825000    
 H   -3.780200      0.4372000       1.802200    
 H   -2.281200      0.2274000       2.731300    
 H   -2.910700      -2.067300       2.292100    
 H   -3.444200      -1.667100      0.6507000    
 H  -0.5963000      -1.821000       1.699600    
 H   -1.243900      -2.436400      0.1572000    
 H    1.142100      -1.857500      0.3231000    
 H    3.297900      -1.537200     -0.7857000    
 H    2.728800     -4.8400000E-02  -1.554900    
 H   0.9014000      -1.373500      -2.692700    
 H    1.418200      -2.868300      -1.899800    
 H  -0.2543000      -2.313100      -1.760200    
 H   -3.687700       2.493100      -1.350000    


%chk=000002546-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002546

0 1
S 3.217453 0.590331 0.658601
O 0.102090 1.208527 -1.168715
O -3.692672 1.866331 -0.745737
O -3.068805 -0.240822 -1.504597
O 5.339369 -0.802989 1.841617
N -0.884339 -0.212927 0.362398
N 4.606762 -0.842065 0.852595
C -2.016580 0.716624 0.542788
C -2.738391 0.155547 1.802200
C -2.481777 -1.370015 1.705973
C -1.037909 -1.465757 1.152751
C 0.123974 0.109924 -0.523136
C 1.241799 -0.924824 -0.744973
C -2.937214 0.691841 -0.685047
C 2.594030 -0.211011 -0.927114
C 0.897396 -1.742028 -2.024514
H -1.661668 1.751324 0.672852
H -3.807791 0.419932 1.826378
H -2.258361 0.577842 2.703069
H -2.586630 -1.882383 2.676386
H -3.186901 -1.829306 0.991558
H -0.293404 -1.498833 1.972333
H -0.900805 -2.358205 0.517506
H 1.313247 -1.614519 0.115612
H 3.384261 -0.928259 -1.216800
H 2.503108 0.588817 -1.678905
H 0.844092 -1.071578 -2.900212
H 1.665408 -2.513720 -2.212434
H -0.083270 -2.241218 -1.926076
H -4.290770 1.836421 -1.540957


