%chk=000054690.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000054690

0 1
 S   -4.332700      -1.100000     -0.1577000    
 O    3.445300     -2.0700000E-02  -1.315100    
 O   0.9599000      -1.581400      -1.877400    
 O    2.780700      -2.890500      -1.514600    
 O   -4.220400       1.780300      -2.131200    
 O   -2.653900       2.884100     -0.9171000    
 N    2.426000     -0.5608000      0.7127000    
 N   -4.257500       2.669500       1.304200    
 C    3.089300       2.691000      0.5895000    
 C    3.832000       1.388500      0.5276000    
 C    4.269000       2.542800     -0.3259000    
 C    3.260900       3.528200       1.809800    
 C    1.739100       2.792900     -3.2900002E-02
 C    3.218200      0.1966000     -0.1302000    
 C    1.770200      -1.691400      0.3169000    
 C   0.9984000      -2.432500       1.130000    
 C   0.2450000      -3.688500      0.7799000    
 C    1.918400      -2.133700      -1.095100    
 C   -1.249800      -3.594100       1.108600    
 C   -2.020600      -2.505600      0.3497000    
 C   -3.480600      -2.400100      0.7830000    
 C   -3.743400      0.3288000      0.7790000    
 C   -4.352100       1.637000      0.2703000    
 C   -3.641400       2.159700     -0.9641000    
 H    4.482800       1.141500       1.362300    
 H    4.092300       2.513500      -1.394800    
 H    5.197900       3.036800     -6.2399998E-02
 H    3.100000       4.586600       1.578300    
 H    4.263200       3.434800       2.242800    
 H    2.540200       3.235200       2.580700    
 H    1.669100       2.271500     -0.9936000    
 H    1.480300       3.841200     -0.2193000    
 H   0.9771000       2.371900      0.6319000    
 H    2.317300     -0.2682000       1.680600    
 H   0.9007000      -2.115500       2.168000    
 H   0.6777000      -4.513400       1.359100    
 H   0.3568000      -3.959400     -0.2749000    
 H   -1.366300      -3.425700       2.187300    
 H   -1.712500      -4.566500      0.8978000    
 H   -1.518000      -1.545600      0.5077000    
 H   -1.962200      -2.723100     -0.7246000    
 H   -3.568000      -2.207300       1.857100    
 H   -3.992500      -3.346700      0.5797000    
 H    1.042800      -1.863300      -2.813300    
 H   -4.029800      0.1668000       1.824500    
 H   -2.650800      0.3792000      0.7313000    
 H   -5.418100       1.519200      4.0500000E-02
 H   -4.737700       3.512500      0.9909000    
 H   -4.747600       2.361100       2.143100    
 H   -3.748300       2.145600      -2.909600    


%chk=000054690-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000054690

0 1
S -4.688208 -1.256556 0.242468
O 3.291861 0.070416 -0.754489
O 0.498101 -0.269494 -1.903086
O 1.319443 -2.424869 -2.236721
O -1.689448 0.834571 -0.809925
O -1.121280 0.596291 1.436724
N 1.488543 -0.265380 0.667560
N -3.429981 2.418982 1.796475
C 2.887409 3.147684 -0.009210
C 2.708101 1.836256 0.838912
C 4.075229 2.548169 0.733397
C 2.233805 4.397539 0.581540
C 2.847277 3.077620 -1.533716
C 2.546848 0.504509 0.183800
C 1.144251 -1.507604 0.055416
C 0.769704 -2.585410 0.808258
C 0.101470 -3.853862 0.339450
C 1.063293 -1.510522 -1.433943
C -1.373703 -3.923270 0.852664
C -2.213809 -2.720806 0.359246
C -3.668073 -2.742348 0.849799
C -4.206413 0.107820 1.469672
C -3.408364 1.286425 0.849513
C -1.964306 0.862209 0.527203
H 2.147778 1.965096 1.771988
H 4.825293 2.015322 0.140417
H 4.452923 3.049220 1.630238
H 2.739112 5.307576 0.205389
H 2.293254 4.410570 1.685375
H 1.167106 4.460197 0.293898
H 3.289079 2.139358 -1.906937
H 3.412622 3.927251 -1.961705
H 1.805531 3.144531 -1.902274
H 0.774405 0.150457 1.286772
H 0.861167 -2.465272 1.898602
H 0.657191 -4.724256 0.741145
H 0.126596 -3.933273 -0.760141
H -1.377914 -3.952002 1.961845
H -1.821426 -4.875397 0.505727
H -1.735302 -1.789264 0.708616
H -2.205885 -2.688062 -0.748014
H -3.733374 -2.763129 1.953034
H -4.219404 -3.616731 0.459888
H 0.538507 -0.248812 -2.894906
H -5.146848 0.527725 1.860461
H -3.645179 -0.352867 2.302455
H -3.896406 1.596912 -0.088374
H -2.853529 2.258921 2.630390
H -3.251442 3.331994 1.367586
H -0.769206 0.478367 -1.081483


