%chk=000065713.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065713

0 1
 S  -0.2150000      -3.916900     -0.5626000    
 O    1.560400      -1.691700      -1.804900    
 O  -9.9399999E-02  -4.046500      -2.002400    
 O  -0.4483000      -5.084800      0.2644000    
 O   -1.534500       1.935000       2.001100    
 O  -0.6447000       4.176900      -1.816100    
 N    2.906400      -1.530800      6.7500003E-02
 N    1.136700      -3.060700      3.9299998E-02
 N   -3.271000       2.008700      0.4853000    
 N   -1.667600       3.471400      -1.194100    
 C    3.780300     -0.4920000     -0.4309000    
 C    3.210500      0.8984000     -0.1300000    
 C    5.196800     -0.6458000      0.1335000    
 C    3.294800       1.256600       1.353700    
 C    5.277800     -0.2852000       1.616700    
 C    4.715600       1.106600       1.889400    
 C    1.859000      -2.048700     -0.6693000    
 C   -1.519700      -2.776000     -0.2159000    
 C   -3.580500     -0.9767000      0.3295000    
 C   -4.681300     -1.3700000E-02  0.6214000    
 C   -1.875300      -1.815300      -1.162600    
 C   -2.194400      -2.837000       1.003400    
 C   -2.905700     -0.9156000     -0.8898000    
 C   -3.224700      -1.937400       1.276200    
 C   -4.203700       1.276400       1.299300    
 C   -1.973100       2.290400      0.9077000    
 C   -1.153900       3.076000     -2.5800001E-02
 C   0.1760000       3.498500      0.1428000    
 C   0.4479000       4.186100      -1.010400    
 C    1.630500       4.893700      -1.516500    
 H    3.834300     -0.6082000      -1.520600    
 H    2.167300      0.9661000     -0.4607000    
 H    3.772800       1.645800     -0.7043000    
 H    5.876400      9.7000003E-03 -0.4260000    
 H    5.554700      -1.672300     -1.0900000E-02
 H    2.960500       2.288900       1.502100    
 H    2.615200      0.6163000       1.929000    
 H    4.732600      -1.024900       2.214500    
 H    6.322800     -0.3271000       1.944700    
 H    4.726500       1.304500       2.967100    
 H    5.362300       1.858500       1.420600    
 H    3.033300      -1.865900       1.017300    
 H    1.478600      -3.327100      0.9713000    
 H   -5.202900      0.2354000     -0.3125000    
 H   -5.435800     -0.4944000       1.257300    
 H   -1.361100      -1.747700      -2.116900    
 H   -1.928900      -3.571700       1.758200    
 H   -3.172300     -0.1726000      -1.636900    
 H   -3.740100      -1.992400       2.231400    
 H   -3.765600       1.050500       2.277500    
 H   -5.062400       1.935400       1.467200    
 H   -3.589700       2.360100     -0.4132000    
 H   0.8380000       3.334400      0.9794000    
 H    1.946900       4.476700      -2.477600    
 H    1.411800       5.956700      -1.657300    
 H    2.469500       4.808900     -0.8187000    


%chk=000065713-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000065713

0 1
S -0.208089 -3.822217 -0.144432
O 1.189734 -1.228545 -1.161010
O 0.047272 -4.275354 -1.673875
O -0.370677 -4.930403 1.037454
O -2.014039 1.792468 1.911205
O -0.739081 4.157334 -1.865044
N 3.063624 -1.420856 0.229935
N 1.236495 -2.874041 0.504767
N -3.684771 2.113962 0.293940
N -1.910538 3.506633 -1.290599
C 3.763743 -0.254317 -0.359257
C 3.391407 1.068603 0.366688
C 5.294084 -0.489950 -0.328021
C 3.968263 1.132681 1.800592
C 5.878805 -0.419343 1.105591
C 5.500916 0.911248 1.801322
C 1.805908 -1.800334 -0.211506
C -1.655520 -2.621683 -0.053610
C -3.877406 -0.944903 0.082688
C -5.059319 0.004205 0.184217
C -1.865556 -1.728231 -1.113442
C -2.494363 -2.731334 1.066629
C -2.997304 -0.887835 -1.029909
C -3.613843 -1.874710 1.122317
C -4.714940 1.313298 0.960560
C -2.406107 2.256084 0.797364
C -1.478850 3.024667 -0.098588
C -0.095770 3.316316 0.146827
C 0.338128 4.017122 -0.964957
C 1.638708 4.612427 -1.393078
H 3.413551 -0.193509 -1.405453
H 2.290615 1.173984 0.373374
H 3.798886 1.910652 -0.231895
H 5.769476 0.299297 -0.943412
H 5.531993 -1.459387 -0.805482
H 3.723555 2.107467 2.264717
H 3.481231 0.357972 2.427722
H 5.509919 -1.270204 1.718568
H 6.978699 -0.533162 1.063259
H 5.891235 0.925917 2.836983
H 5.989360 1.749396 1.262054
H 3.519210 -1.928845 0.988635
H 1.716598 -3.408527 1.238570
H -5.425317 0.272934 -0.825282
H -5.900983 -0.480884 0.714583
H -1.164865 -1.680837 -1.950732
H -2.284110 -3.468404 1.847918
H -3.192863 -0.179493 -1.842534
H -4.287865 -1.932720 1.984823
H -4.329963 1.071093 1.965759
H -5.636208 1.915573 1.077767
H -3.880273 2.542173 -0.616992
H 0.465575 3.029241 1.030770
H 1.985339 4.163202 -2.340994
H 1.545882 5.701445 -1.553736
H 2.405010 4.436136 -0.621856


