%chk=000002611.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002611

1 1
 S  -0.3084000     -0.5840000      -2.448900    
 S    6.531000       1.567700     -9.7999997E-02
 O   0.4205000      -3.654400      0.9650000    
 O   -2.559000      -1.749500       2.260200    
 O   -3.017500      -3.461000      0.8143000    
 O    3.603500     -0.4000000      -1.782100    
 N  -0.5051000      -1.749100     -7.1300000E-02
 N    2.721400      -1.647100     -3.5100002E-02
 N   -4.086100       1.167900     -0.1753000    
 C   0.3779000     -0.8562000     -0.7993000    
 C    1.445200      -1.965500     -0.6743000    
 C   0.4277000      -2.663500      0.2727000    
 C   -1.836000      -1.530900      8.7099999E-02
 C   -2.497700     -0.6197000     -0.6653000    
 C   -1.847500      0.1579000      -1.807600    
 C   -3.954600     -0.2624000     -0.4942000    
 C   -2.538300      -2.373800       1.066200    
 C    3.705600     -0.8798000     -0.6542000    
 C    4.936900     -0.6644000      0.2028000    
 C   -4.216400       2.033700      -1.182700    
 C   -4.069500       1.536400       1.107400    
 C    5.111600      0.8080000      0.4503000    
 C   -4.342900       3.388600     -0.9117000    
 C   -4.191600       2.878600       1.437800    
 C   -4.329800       3.811100      0.4140000    
 C    4.250700       1.654600       1.082300    
 C    4.767600       2.981700       1.123000    
 C    6.001000       3.075400      0.5168000    
 H   0.6058000      5.8800001E-02 -0.2388000    
 H    1.612400      -2.562800      -1.581000    
 H   -1.615800       1.178000      -1.486600    
 H   -2.522700      0.2002000      -2.667400    
 H    2.908800      -1.994400      0.9023000    
 H   -4.455500     -0.8269000      0.2997000    
 H   -4.516000     -0.4690000      -1.413700    
 H    4.848300      -1.183400       1.163700    
 H    5.789200      -1.107700     -0.3248000    
 H   -4.246200       1.648400      -2.194200    
 H   -3.958000      0.7636000       1.857800    
 H   -3.021700      -2.277800       2.945200    
 H   -4.456000       4.104800      -1.718400    
 H   -4.179600       3.195100       2.475200    
 H   -4.428600       4.866600      0.6495000    
 H    3.297600       1.356900       1.500500    
 H    4.260700       3.824700       1.574300    
 H    6.616200       3.957100      0.4056000    


%chk=000002611-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002611

1 1
S -0.282850 -0.601408 -2.512333
S 5.447477 1.994978 -0.352163
O 0.949161 -2.103422 1.986038
O -3.175740 -0.882553 2.233535
O -1.951715 -2.805118 1.743659
O 3.809036 -2.143512 -2.009312
N -0.276633 -0.826044 0.273328
N 3.045989 -0.876052 -0.218536
N -4.607078 1.042526 -0.409725
C 0.566372 -0.341688 -0.861278
C 1.696464 -1.330894 -0.385813
C 0.820430 -1.581116 0.878466
C -1.661850 -0.808460 0.350077
C -2.430777 -0.220801 -0.644376
C -1.793094 0.398345 -1.875827
C -3.936405 -0.319985 -0.637532
C -2.239636 -1.628926 1.480576
C 4.056005 -1.350186 -1.059127
C 5.482584 -0.869306 -0.731877
C -5.377218 1.611381 -1.393897
C -4.414158 1.671967 0.798496
C 5.598816 0.282226 0.230339
C -5.984703 2.860074 -1.190526
C -5.008832 2.917703 1.045574
C -5.801508 3.526117 0.043313
C 5.833010 0.257733 1.600580
C 5.892062 1.563700 2.215006
C 5.703208 2.601275 1.317946
H 0.836771 0.722013 -0.756861
H 1.721075 -2.228496 -1.038073
H -1.423331 1.424552 -1.699579
H -2.496770 0.431402 -2.724539
H 3.309041 -0.248652 0.548106
H -4.315297 -0.980500 0.156659
H -4.316408 -0.686010 -1.607716
H 6.018113 -1.746268 -0.319998
H 5.966689 -0.653390 -1.700731
H -5.490150 1.046291 -2.321883
H -3.798273 1.134239 1.525658
H -3.496601 -1.436418 2.999057
H -6.590081 3.294693 -1.989192
H -4.851912 3.397408 2.014471
H -6.269121 4.498697 0.221340
H 5.980397 -0.674175 2.154003
H 6.081765 1.723239 3.278777
H 5.714774 3.675324 1.494690


