%chk=000113245.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113245

0 1
 S    7.891300      0.3121000      0.1655000    
 S    2.490200       1.551900      0.4601000    
 O   -7.179700       2.524500     -0.9120000    
 O   -7.742100      -1.862400       1.036600    
 O    8.025700       1.443300       1.071200    
 O    8.639200     -0.9111000      0.4185000    
 N   -6.029100      0.1226000      6.0999999E-03
 N    2.095000     -0.9069000     -0.2108000    
 N  -0.4878000     -0.6556000     -0.1622000    
 N   0.1439000      0.4045000      0.1305000    
 C   -6.606700       1.085100      0.9235000    
 C   -6.905900     -0.6439000     -0.8568000    
 C   -4.633500     -7.5099997E-02 -3.6400001E-02
 C   -6.506300       2.484200      0.3398000    
 C   -7.161800      -2.014200     -0.2528000    
 C    6.192100     -8.0100000E-02  4.5699999E-02
 C   -3.934200      0.1440000      -1.223100    
 C   -3.952200     -0.4881000       1.108600    
 C    3.880900      0.5658000      0.2030000    
 C    5.238800      0.9077000      0.3063000    
 C    3.468700     -0.7228000     -0.1500000    
 C   -2.553500     -4.9800001E-02  -1.265100    
 C   -2.571500     -0.6819000       1.066600    
 C    5.806200      -1.368600     -0.3070000    
 C   -1.879100     -0.4618000     -0.1201000    
 C    4.452500      -1.702000     -0.4082000    
 C    8.331600      0.8621000      -1.467100    
 C    1.487200      0.2169000      8.9800000E-02
 H   -6.120300       1.054200       1.904800    
 H   -7.664200      0.8511000       1.096000    
 H   -7.863000     -0.1216000     -0.9771000    
 H   -6.488000     -0.7540000      -1.863800    
 H   -5.463600       2.778200      0.1816000    
 H   -6.976500       3.209200       1.011400    
 H   -6.234600      -2.584900     -0.1413000    
 H   -7.846600      -2.595500     -0.8782000    
 H   -4.447000      0.4770000      -2.121700    
 H   -4.482100     -0.6748000       2.038900    
 H    5.526600       1.919500      0.5754000    
 H    6.544100      -2.138300     -0.5175000    
 H   -2.015900      0.1253000      -2.193200    
 H   -2.048600      -1.006500       1.962300    
 H    4.161900      -2.711200     -0.6862000    
 H    7.728800       1.735700      -1.722200    
 H    9.390500       1.129800      -1.460300    
 H    8.157600      4.9699999E-02  -2.175100    
 H   -7.097700       3.432200      -1.250600    
 H   -8.593400      -1.406600      0.9222000    


%chk=000113245-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000113245

0 1
S 8.225418 0.453844 -0.902413
S 2.613698 0.463616 -1.988085
O -8.301610 1.676285 1.300190
O -8.107699 -1.608428 -1.615423
O 8.259831 1.199268 -2.360422
O 9.070954 1.001960 0.387530
N -6.099040 0.084055 0.028389
N 2.388839 0.102638 0.695470
N -0.453099 0.031044 0.496713
N 0.270943 0.240003 -0.600101
C -6.951760 -0.316569 1.166517
C -6.803448 0.491561 -1.206457
C -4.711973 0.072969 0.115512
C -7.363576 0.847801 2.079518
C -7.107628 -0.679784 -2.167012
C 6.408649 0.310886 -0.383902
C -3.887667 0.297184 -1.048863
C -4.040070 -0.160370 1.366964
C 4.100396 0.353440 -0.979226
C 5.443126 0.432223 -1.394643
C 3.753666 0.166102 0.411721
C -2.497357 0.292099 -0.965619
C -2.645804 -0.167592 1.441189
C 6.124098 0.152981 0.990466
C -1.839586 0.059523 0.285570
C 4.778511 0.076193 1.390647
C 8.786811 -1.355135 -1.196997
C 1.646723 0.230969 -0.396913
H -6.440854 -1.092599 1.761664
H -7.862590 -0.785217 0.756821
H -7.743053 0.984169 -0.898260
H -6.206949 1.257528 -1.733623
H -6.475329 1.435600 2.388323
H -7.861525 0.437744 2.984001
H -6.210373 -1.298848 -2.326866
H -7.439700 -0.272260 -3.146202
H -4.350238 0.453055 -2.027155
H -4.613448 -0.317023 2.283855
H 5.745258 0.611362 -2.431558
H 6.942047 0.127054 1.717753
H -1.880045 0.454706 -1.854516
H -2.132942 -0.337935 2.393499
H 4.498406 -0.043812 2.440634
H 8.159491 -1.758552 -2.003403
H 9.842775 -1.275807 -1.490937
H 8.658784 -1.890405 -0.246312
H -8.529289 2.495902 1.804661
H -8.993871 -1.164529 -1.617101


