%chk=000004368.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004368

0 1
 S   0.2815000     -0.2207000      -2.077600    
 O   6.1500002E-02  -1.398400      -2.897200    
 O   0.8815000      0.9581000      -2.675400    
 O   -4.975100       1.408500      4.0899999E-02
 O   0.3022000      0.8604000       1.394000    
 O   -2.019100       1.496300       2.594700    
 N    1.161100     -0.6587000     -0.6416000    
 N    3.981500       1.936200       1.745100    
 N   -1.733800      0.1731000       2.228300    
 C   0.6108000      -1.720000      0.1482000    
 C    2.651300     -0.5823000     -0.7223000    
 C   0.8884000      -3.046700     -0.1807000    
 C   -1.298600      0.2688000      -1.440600    
 C  -0.2011000      -1.428300       1.244200    
 C    3.178100      0.7102000     -0.1578000    
 C   0.3539000      -4.081900      0.5864000    
 C  -0.7355000      -2.463600       2.011500    
 C    1.755400      -3.389400      -1.348100    
 C   -2.291300     -0.6826000      -1.304500    
 C   -1.502000       1.591000      -1.094400    
 C  -0.4580000      -3.790200       1.682600    
 C  -0.5113000     -5.3399999E-02   1.615000    
 C    3.338200       1.813900     -0.9724000    
 C    3.504900      0.8065000       1.175700    
 C   -3.534700     -0.2972000     -0.8033000    
 C   -2.745300       1.976500     -0.5930000    
 C   -3.761600       1.032300     -0.4475000    
 C    3.826000       2.994500     -0.4230000    
 C    4.130100       3.003600      0.9288000    
 C   -5.139000       2.783700      0.3840000    
 H    2.985600     -0.6893000      -1.761900    
 H    3.128900      -1.405900     -0.1776000    
 H   0.5650000      -5.119700      0.3425000    
 H   -1.352800      -2.276700       2.885800    
 H    1.326900      -4.246800      -1.881700    
 H    2.746600      -3.687100     -0.9878000    
 H    1.898200      -2.622200      -2.103000    
 H   -2.133800      -1.722700      -1.572200    
 H  -0.7194000       2.337000      -1.192500    
 H  -0.8693000      -4.596500       2.283000    
 H    3.128100       1.777100      -2.035100    
 H    3.393400     -3.2600001E-02   1.854800    
 H   -4.322000      -1.037500     -0.6904000    
 H   -2.852400       3.024100     -0.3334000    
 H    3.971600       3.877100      -1.035100    
 H   -2.491200     -0.4928000       2.329000    
 H    4.515600       3.899000       1.405300    
 H   -6.162300       2.904800      0.7539000    
 H   -4.467900       3.077800       1.198100    
 H   -5.037100       3.432100     -0.4928000    
 H   -1.721100       1.485700       3.520000    


%chk=000004368-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004368

0 1
S -0.038579 -0.586602 -2.387219
O -0.393958 -2.071644 -2.981565
O 0.662996 0.536355 -3.345040
O -5.198963 1.505091 -0.064883
O 0.511492 1.130970 1.762722
O -1.979649 1.784969 2.232097
N 1.104199 -0.568509 -0.764836
N 4.593237 1.007873 1.790935
N -1.651882 0.420013 1.898749
C 0.779037 -1.629576 0.152612
C 2.530031 -0.325265 -1.148125
C 1.148903 -3.002543 -0.040472
C -1.624922 0.098335 -1.684703
C 0.004818 -1.260713 1.300770
C 3.156743 0.652980 -0.168344
C 0.733140 -3.954357 0.926140
C -0.400187 -2.240620 2.237899
C 1.944830 -3.495727 -1.236571
C -2.686971 -0.795408 -1.450841
C -1.712848 1.477842 -1.443052
C -0.034291 -3.589381 2.049761
C -0.320038 0.170052 1.613654
C 2.929156 2.046224 -0.264747
C 3.997863 0.191649 0.872631
C -3.880263 -0.278867 -0.913211
C -2.911178 1.993814 -0.911006
C -3.988575 1.110679 -0.628255
C 3.538828 2.908267 0.668761
C 4.354332 2.347181 1.679732
C -5.327460 2.902337 0.378841
H 2.513706 0.118188 -2.163333
H 3.123898 -1.257122 -1.182859
H 1.011394 -5.004470 0.778912
H -0.964593 -1.935741 3.124959
H 1.692679 -4.548398 -1.449614
H 3.033687 -3.455306 -1.037700
H 1.729567 -2.921947 -2.151212
H -2.578121 -1.856131 -1.697814
H -0.866074 2.134489 -1.664094
H -0.340177 -4.348085 2.777599
H 2.282425 2.438768 -1.057756
H 4.207533 -0.880572 0.983376
H -4.740813 -0.924350 -0.715239
H -2.986866 3.062831 -0.700361
H 3.388208 3.991667 0.624149
H -2.462369 -0.096595 1.551306
H 4.837507 2.982514 2.431258
H -6.319610 2.959040 0.848448
H -4.542092 3.149426 1.117065
H -5.281697 3.598183 -0.480116
H -1.047435 2.193288 2.239491


