%chk=000039480.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039480

0 1
 S    1.772700       1.387900      0.8783000    
 O  -0.4752000      -1.033100      -2.036700    
 O   -2.671200      0.8487000      9.1399997E-02
 O   -2.515300       3.009600     -0.7104000    
 O    3.375100      -2.778700      0.7826000    
 O   -4.725200       1.120700      -1.089000    
 O   -6.268500     -4.2100001E-02  -2.362300    
 N  -0.3658000      0.2677000     -7.0500001E-02
 N    2.388400      -1.219400     -0.6214000    
 N    5.458700      -3.051800      -1.010700    
 C   0.6713000     -7.3200002E-02  0.9078000    
 C  -0.5459000       1.654500     -0.4497000    
 C   0.3386000       2.509100      0.4835000    
 C    1.054800      -1.246500     -4.3000001E-03
 C  -7.4299999E-02 -0.7515000     -0.9302000    
 C   0.8636000       3.754900     -0.2324000    
 C  -0.3293000       2.905500       1.807200    
 C   -2.011700       1.943600     -0.3831000    
 C    3.453200      -2.001400     -0.1674000    
 C    4.737000      -1.777100     -0.9590000    
 C   -4.090700      0.9884000      0.2075000    
 C   -4.690200     -0.2578000      0.7297000    
 C    5.565500     -0.6696000     -0.3416000    
 C   -5.579500     -0.7690000     -0.1940000    
 C   -5.602500      0.1033000      -1.356800    
 C   -4.485500     -0.9048000       1.935500    
 C    6.374300      0.1020000      -1.157000    
 C    5.494200     -0.4546000       1.023200    
 C   -6.297300      -1.930900      2.2399999E-02
 C   -5.196000      -2.083000       2.185100    
 C   -6.096000      -2.592800       1.233900    
 C    7.137100       1.122000     -0.5886000    
 C    6.257000      0.5656000       1.591500    
 C    7.078500       1.353900      0.7854000    
 H   0.2606000     -0.3404000       1.885800    
 H  -0.2393000       1.747000      -1.499800    
 H   0.8194000      -2.229600      0.4219000    
 H    1.548500       4.327700      0.4036000    
 H    1.396700       3.500500      -1.155900    
 H   3.7700001E-02   4.421000     -0.5062000    
 H   0.3806000       3.397600       2.482900    
 H   -1.147100       3.615200       1.638900    
 H  -0.7506000       2.042200       2.334500    
 H    2.560900     -0.5915000      -1.403300    
 H    4.463200      -1.498500      -1.984800    
 H   -4.356200       1.850700      0.8306000    
 H    4.880800      -3.750800      -1.476900    
 H    6.290900      -2.947600      -1.590600    
 H   -3.792100     -0.5131000       2.672100    
 H    6.427100     -7.2200000E-02  -2.227600    
 H    4.887100      -1.053900       1.691600    
 H   -6.991300      -2.319600     -0.7141000    
 H   -5.051900      -2.610500       3.124200    
 H   -6.639300      -3.509700       1.446000    
 H    7.777100       1.735600      -1.216000    
 H    6.215200      0.7438000       2.662100    
 H    7.673200       2.147500       1.228200    


%chk=000039480-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039480

0 1
S 1.568702 1.015473 1.101359
O 0.988147 0.509721 -3.120222
O -2.746716 0.851242 -0.376769
O -2.574808 3.141973 -0.847596
O 3.043683 -3.370168 -1.093184
O -4.662471 0.294511 -1.693732
O -5.845761 -1.646847 -2.287961
N -0.076284 0.459523 -0.931091
N 2.905942 -1.049954 -0.974298
N 5.713924 -3.347781 -0.571436
C 0.642653 -0.320667 0.108727
C -0.523762 1.814532 -0.620898
C 0.070544 2.229918 0.809048
C 1.468264 -1.018245 -1.040631
C 0.809760 0.065765 -1.975922
C 0.602318 3.673843 0.774388
C -0.933569 2.024927 1.965644
C -2.038687 2.031494 -0.654327
C 3.611580 -2.238435 -1.041310
C 5.162256 -2.109579 -1.123513
C -4.225794 0.928872 -0.443653
C -4.815870 0.085942 0.665950
C 5.706221 -0.859014 -0.423367
C -5.497456 -1.004018 0.087492
C -5.402581 -0.917111 -1.394608
C -4.752857 0.243261 2.059704
C 5.939016 0.332154 -1.156455
C 5.963526 -0.874722 0.970485
C -6.142050 -1.976997 0.874305
C -5.402311 -0.727418 2.862890
C -6.088403 -1.824613 2.278950
C 6.407567 1.497397 -0.504980
C 6.431176 0.287143 1.621154
C 6.651523 1.478159 0.887161
H 0.030059 -0.948162 0.769377
H -0.109753 2.499677 -1.385545
H 1.114308 -2.044061 -1.243526
H 1.025634 3.962159 1.752531
H 1.385643 3.796617 0.006851
H -0.227000 4.368423 0.542735
H -0.432013 2.223530 2.927120
H -1.781902 2.731108 1.871084
H -1.328430 0.994808 1.988567
H 3.421314 -0.172763 -0.853257
H 5.356135 -1.983539 -2.220748
H -4.521403 1.991795 -0.477253
H 5.092514 -4.152881 -0.704726
H 6.694179 -3.521114 -0.800346
H -4.221968 1.083725 2.518830
H 5.770325 0.345271 -2.241547
H 5.809896 -1.814079 1.512101
H -6.665468 -2.815406 0.404278
H -5.374910 -0.630722 3.953541
H -6.580890 -2.557796 2.926026
H 6.589679 2.410233 -1.083159
H 6.628250 0.266831 2.699159
H 7.019478 2.377560 1.393706


