%chk=000025703.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025703

0 1
 S    1.196400      -2.751200      0.3741000    
 S   6.3100003E-02  -1.484400       1.539600    
 S   0.3133000      -1.824500      -2.360300    
 S   -2.183800      -3.491700       1.346800    
 O    7.145300       2.818200       1.296500    
 O   -7.390800       2.854100     -0.5873000    
 N    4.467500      0.9132000     -0.3725000    
 N   -4.240200       1.057500      6.9100000E-02
 N    2.486800      -1.008900      -1.066400    
 N   -2.289200     -0.9556000      0.5591000    
 C    4.345000     -0.3361000      0.3965000    
 C    3.151000       1.349900     -0.8660000    
 C   -4.594400     -0.3655000     -5.9799999E-02
 C   -3.227100       1.246800       1.120200    
 C    3.737200      -1.445300     -0.4620000    
 C    2.517800      0.2757000      -1.750200    
 C   -3.361200      -1.205200     -0.3934000    
 C   -1.965400      0.4412000      0.8108000    
 C    5.082100       1.959400      0.4439000    
 C   -5.430100       1.858600      0.3539000    
 C    1.387700      -1.802000      -1.085800    
 C   -1.561900      -1.965300       1.096700    
 C    6.589500       1.772800      0.5097000    
 C   -6.238400       2.088300     -0.9133000    
 H    5.324800     -0.6845000      0.7387000    
 H    3.720600     -0.1824000       1.286700    
 H    3.254300       2.265800      -1.460300    
 H    2.482700       1.574500     -2.3900000E-02
 H   -5.323200     -0.5204000     -0.8618000    
 H   -5.045000     -0.7363000      0.8706000    
 H   -3.628600      0.9437000       2.096600    
 H   -2.949500       2.305500       1.190400    
 H    3.678500      -2.375600      0.1057000    
 H    4.415600      -1.663000      -1.298600    
 H    3.100700      0.1456000      -2.670500    
 H    1.516700      0.6167000      -2.030400    
 H   -3.644700      -2.255500     -0.4850000    
 H   -2.976100     -0.9096000      -1.378300    
 H   -1.471200      0.8337000     -8.6900003E-02
 H   -1.297800      0.5943000       1.661700    
 H    4.903100       2.947900     -1.0000000E-03
 H    4.647900       2.012700       1.451100    
 H   -6.052600       1.414400       1.142000    
 H   -5.144700       2.849200      0.7336000    
 H    6.871000      0.8256000      0.9775000    
 H    7.035200       1.818800     -0.4898000    
 H   -5.654200       2.640900      -1.656900    
 H   -6.585500       1.154000      -1.362500    
 H    8.108000       2.681700       1.314000    
 H   -7.882600       2.996200      -1.414100    


%chk=000025703-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025703

0 1
S 0.546727 -3.127333 -2.278438
S 0.347945 -3.721826 0.170103
S 0.962563 -1.209706 -4.384383
S -0.254301 -2.933372 2.882215
O 3.220469 3.220182 3.171614
O -3.973332 4.114843 -0.853627
N 2.806676 1.175941 0.069142
N -2.812585 0.614537 -0.245843
N 2.146274 -0.809378 -1.927493
N -1.664439 -1.825569 0.790013
C 2.304338 -0.164203 0.462267
C 2.263184 1.567640 -1.254152
C -2.255767 0.550509 1.126356
C -2.106302 -0.333302 -1.142686
C 2.671451 -1.215860 -0.599638
C 2.639413 0.534304 -2.333564
C -2.356089 -0.875462 1.701930
C -2.207610 -1.766840 -0.591191
C 2.569175 2.211649 1.104583
C -2.864531 1.994874 -0.787717
C 1.354897 -1.554343 -2.738006
C -0.691058 -2.659810 1.233567
C 3.552965 2.099126 2.277199
C -4.079763 2.771451 -0.262018
H 2.758679 -0.466859 1.421004
H 1.193274 -0.161654 0.605122
H 2.689906 2.546193 -1.539476
H 1.147351 1.675465 -1.234403
H -2.821442 1.232727 1.785328
H -1.181837 0.873701 1.150365
H -1.025926 -0.069236 -1.270424
H -2.576269 -0.305027 -2.141369
H 2.270158 -2.199250 -0.316326
H 3.773367 -1.284527 -0.683800
H 3.739441 0.485989 -2.442612
H 2.193713 0.796791 -3.306294
H -1.887337 -0.935120 2.697304
H -3.417335 -1.177171 1.786384
H -3.272876 -2.064879 -0.541909
H -1.665854 -2.467176 -1.242226
H 2.711768 3.206647 0.645464
H 1.525738 2.180499 1.503864
H -1.939155 2.576637 -0.558678
H -2.947721 1.940289 -1.887821
H 3.438075 1.129509 2.805860
H 4.590505 2.174571 1.892588
H -5.009389 2.255320 -0.577034
H -4.065517 2.829021 0.847369
H 3.823285 3.208357 3.956152
H -4.761302 4.655032 -0.596166


