%chk=000026599.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026599

0 1
 S    4.862100      0.9645000     -0.9770000    
 O    5.609000       2.097600     -0.4467000    
 O    4.776800      0.7645000      -2.416800    
 O   -2.966400      0.9762000       1.252700    
 O   -1.943200      1.9000000E-03 -0.5830000    
 O   -8.166700      -2.203700     -0.2398000    
 O   -8.494200     -0.3677000      -1.397800    
 N  -0.7219000       1.220900       1.006000    
 N   -7.802100      -1.063300     -0.6156000    
 C    3.218100       1.040100     -0.3931000    
 C    5.641500     -0.4659000     -0.2780000    
 C    2.926800       1.730300      0.7835000    
 C    2.196300      0.4100000      -1.103300    
 C   0.5915000       1.160800      0.5393000    
 C    1.613400       1.790700       1.249600    
 C   0.8830000      0.4704000     -0.6372000    
 C    5.571200      -1.667500     -0.9566000    
 C    6.301200     -0.3473000      0.9303000    
 C    6.184000      -2.793100     -0.4062000    
 C    6.914000      -1.473000       1.480700    
 C    6.855500      -2.696000      0.8126000    
 C   -1.869400      0.6634000      0.4462000    
 C   -4.179900      0.4635000      0.7825000    
 C   -4.572400     -0.7888000       1.197600    
 C   -4.932800       1.232700     -7.5499997E-02
 C   -6.568800     -0.5440000     -0.1409000    
 C   -5.783200      -1.299300      0.7296000    
 C   -6.143600      0.7220000     -0.5434000    
 H    3.708100       2.222800       1.355500    
 H    2.401000     -0.1404000      -2.017400    
 H    1.400800       2.330800       2.168800    
 H   0.1457000     -4.2900000E-02  -1.238700    
 H    5.046900      -1.763700      -1.902200    
 H    6.350400      0.5923000       1.471500    
 H    6.136700      -3.745900     -0.9255000    
 H    7.434800      -1.398000       2.431000    
 H  -0.8625000       1.740100       1.869400    
 H    7.331600      -3.572700       1.241700    
 H   -3.960800      -1.375500       1.875700    
 H   -4.601500       2.218200     -0.3874000    
 H   -6.082500      -2.289100       1.064900    
 H   -6.729500       1.338900      -1.220000    


%chk=000026599-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000026599

0 1
S 5.143177 0.808756 -1.133480
O 5.769349 2.243453 -0.648298
O 5.212252 0.260885 -2.675320
O -2.975920 0.875656 0.571456
O -1.835044 -0.534735 -0.983864
O -8.742072 -1.668005 -0.611057
O -9.254709 -0.046851 0.911570
N -0.759741 1.097490 0.354019
N -8.413752 -0.700524 0.179486
C 3.311971 0.848682 -0.658499
C 5.930459 -0.532547 -0.040683
C 2.900925 1.772019 0.315851
C 2.419229 0.012648 -1.345462
C 0.604298 0.977752 -0.024296
C 1.531797 1.830771 0.635368
C 1.047553 0.069502 -1.023802
C 5.996124 -1.837983 -0.551548
C 6.469060 -0.142485 1.195122
C 6.614913 -2.823869 0.252507
C 7.084033 -1.142608 1.984487
C 7.149137 -2.476763 1.516333
C -1.832947 0.372355 -0.125714
C -4.297698 0.402910 0.389437
C -4.683186 -0.652953 -0.474519
C -5.247968 1.095772 1.179407
C -6.986261 -0.316062 0.252924
C -6.044315 -1.009206 -0.536532
C -6.603325 0.737672 1.113997
H 3.629437 2.441924 0.783847
H 2.783986 -0.649699 -2.137455
H 1.181875 2.544176 1.391112
H 0.328067 -0.569412 -1.538698
H 5.606673 -2.062875 -1.550100
H 6.434333 0.906122 1.508943
H 6.687052 -3.853975 -0.111536
H 7.517874 -0.877923 2.954367
H -0.992380 1.796686 1.063249
H 7.630061 -3.244861 2.131690
H -3.941873 -1.175370 -1.078812
H -4.907337 1.904393 1.831604
H -6.383994 -1.817445 -1.189311
H -7.362113 1.251326 1.709209


