%chk=000005473.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005473

1 1
 S    3.894800      0.9396000     -0.5154000    
 O   -5.167100     -0.2649000      0.9558000    
 O    1.325300      0.4556000      -2.053200    
 N   -2.757300      0.5262000     -0.4248000    
 C   -1.393900      1.9099999E-02 -0.9058000    
 C   -2.829300      0.3601000       1.097400    
 C   -3.852100     -0.3237000      -1.079600    
 C  -0.2461000      0.8071000     -0.2638000    
 C   -2.868900       1.993700     -0.8334000    
 C   -4.243000      0.6094000       1.599400    
 C   -5.206200     -3.4499999E-02 -0.4506000    
 C    1.201000      0.3521000     -0.6260000    
 C    1.437600      -1.094100     -0.1708000    
 C    2.309800       1.277300     -7.1800001E-02
 C    1.459800      -1.360500       1.176900    
 C    1.616500      -2.061400      -1.130000    
 C    2.131300       2.329000      0.7338000    
 C    3.389200       2.929600       1.028800    
 C    1.674600      -2.675200       1.590900    
 C    1.831100      -3.375900     -0.7159000    
 C    4.432700       2.273800      0.4135000    
 C    1.860200      -3.682800      0.6446000    
 H   -1.336300      -1.043400     -0.6449000    
 H   -1.375700      0.1081000      -1.998400    
 H   -2.155500       1.075400       1.575100    
 H   -2.520600     -0.6671000       1.322900    
 H   -3.579200      -1.371900     -0.9100000    
 H   -3.846700     -0.1132000      -2.154300    
 H  -0.3281000      0.8002000      0.8259000    
 H  -0.3280000       1.852100     -0.5839000    
 H   -3.899300       2.328600     -0.7003000    
 H   -2.227600       2.604600     -0.1933000    
 H   -2.590100       2.088300      -1.887100    
 H   -4.289900      0.4035000       2.673800    
 H   -4.557600       1.649500       1.457600    
 H   -5.566100      0.9796000     -0.6516000    
 H   -5.950000     -0.7198000     -0.8708000    
 H    1.096900       1.364500      -2.313700    
 H    1.315200     -0.5887000       1.925900    
 H    1.595000      -1.860200      -2.195300    
 H    1.189200       2.691900       1.121800    
 H    3.522200       3.798200       1.660800    
 H    1.696600      -2.914300       2.650100    
 H    1.974400      -4.161300      -1.452400    
 H    5.485300       2.514200      0.4654000    
 H    2.026900      -4.706400      0.9668000    


%chk=000005473-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005473

1 1
S 4.018970 0.758174 -0.168289
O -5.336070 -0.324627 0.860637
O 1.010593 0.671233 -1.959935
N -2.754118 0.562980 -0.298168
C -1.310126 0.065085 -0.565905
C -3.046974 0.530790 1.218460
C -3.713855 -0.432778 -1.002229
C -0.199843 0.904160 0.082151
C -2.937833 1.963374 -0.874692
C -4.541217 0.713692 1.523459
C -5.180790 -0.225251 -0.593615
C 1.179195 0.442610 -0.491927
C 1.404780 -1.059233 -0.197335
C 2.299133 1.311260 0.042631
C 1.679509 -1.479591 1.130331
C 1.299752 -2.029465 -1.222331
C 2.265925 2.588642 0.588863
C 3.566509 3.151552 0.853355
C 1.848098 -2.849401 1.425502
C 1.478336 -3.401549 -0.927302
C 4.608570 2.313640 0.494521
C 1.748393 -3.815907 0.396209
H -1.270874 -0.976262 -0.203660
H -1.174750 0.067702 -1.661241
H -2.437507 1.314514 1.696945
H -2.711794 -0.458911 1.572973
H -3.382746 -1.440035 -0.698884
H -3.568443 -0.315208 -2.090024
H -0.180848 0.785035 1.178758
H -0.312922 1.972059 -0.170370
H -4.004712 2.222372 -0.901128
H -2.403014 2.691533 -0.249174
H -2.523494 1.978492 -1.894061
H -4.704698 0.575741 2.603873
H -4.906363 1.724624 1.244332
H -5.592068 0.736932 -0.964044
H -5.785874 -1.041156 -1.019572
H 1.906755 0.790337 -2.366976
H 1.796350 -0.734450 1.927151
H 1.096340 -1.704667 -2.247609
H 1.342185 3.131975 0.803834
H 3.721183 4.140047 1.291152
H 2.073703 -3.162495 2.450491
H 1.413665 -4.142991 -1.730948
H 5.681752 2.474912 0.580834
H 1.892234 -4.877491 0.623055


