%chk=000038455.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038455

0 1
 S   7.8299999E-02 -0.5951000      -1.653100    
 S   -1.697300      0.3663000      -2.042200    
 O   0.8656000       1.289100       1.231400    
 O   -3.576000      -1.384100      0.3862000    
 O   -4.539000      0.4689000      -1.261900    
 N   -1.249600      -1.398800      0.6013000    
 N   -1.357000       1.291300      0.5113000    
 C  -5.7999999E-03 -0.7200000      0.1819000    
 C   -2.341800      0.5807000     -0.3309000    
 C  -9.7999997E-02  0.7070000      0.7359000    
 C   -2.489300     -0.8170000      0.2829000    
 C    1.287600      -1.390300      0.6619000    
 C   -3.713100       1.260400     -0.4321000    
 C   -1.192000      -2.656500       1.336400    
 C   -1.687000       2.582800       1.102200    
 C    2.499800     -0.6316000      0.2044000    
 C    3.086900     -0.9451000      -1.015900    
 C    3.022600      0.3770000       1.005200    
 C    4.213000     -0.2402000      -1.441200    
 C    4.148600       1.082000      0.5798000    
 C    4.743700      0.7733000     -0.6435000    
 H    1.358500      -2.429500      0.3131000    
 H    1.308100      -1.452000       1.758600    
 H   -3.646900       2.265900     -0.8622000    
 H   -4.194200       1.335700      0.5495000    
 H  -0.6868000      -3.408300      0.7246000    
 H   -2.197100      -3.018400       1.569600    
 H  -0.6579000      -2.502300       2.277200    
 H  -0.8529000       2.964800       1.697100    
 H   -2.553100       2.468800       1.758800    
 H   -1.901300       3.298300      0.3042000    
 H    2.719600      -1.760000      -1.633600    
 H    2.693000      0.5336000       2.030100    
 H   -5.405000      0.9086000      -1.310100    
 H    4.683900     -0.4888000      -2.387800    
 H    4.585200       1.844900       1.217800    
 H    5.627100       1.314400     -0.9694000    


%chk=000038455-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038455

0 1
S 0.311645 0.093081 -1.429208
S -1.878872 0.564207 -1.989188
O 0.426887 1.474140 1.916279
O -3.549914 -1.505404 0.278363
O -4.701665 0.535550 -1.175770
N -1.221772 -1.349591 0.531218
N -1.601332 1.453462 0.749859
C -0.066553 -0.459652 0.461917
C -2.485133 0.677322 -0.083979
C -0.375895 0.897569 1.130545
C -2.480717 -0.813210 0.278090
C 1.249570 -1.078569 0.999367
C -3.929663 1.225912 -0.159935
C -1.089347 -2.823078 0.549588
C -1.830714 2.895072 0.984538
C 2.537222 -0.535092 0.377720
C 3.133339 -1.226859 -0.711779
C 3.185713 0.617604 0.892624
C 4.337805 -0.765301 -1.289452
C 4.392767 1.073488 0.320328
C 4.971505 0.387619 -0.773760
H 1.220647 -2.164393 0.819887
H 1.254140 -0.909785 2.091564
H -3.920610 2.283716 -0.462025
H -4.388455 1.130285 0.848140
H -0.480485 -3.166206 -0.306188
H -2.105380 -3.236258 0.458108
H -0.643864 -3.174895 1.494414
H -0.985456 3.262869 1.585528
H -2.767470 3.068549 1.539433
H -1.858003 3.436438 0.021243
H 2.651701 -2.128957 -1.109132
H 2.723711 1.158190 1.723635
H -4.725589 -0.426425 -0.902077
H 4.780328 -1.306302 -2.133222
H 4.882409 1.965296 0.727384
H 5.907901 0.745407 -1.216556


