%chk=000087851.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087851

0 1
 S   -2.092400     -0.4171000     -0.7050000    
 S  -8.2300000E-02   1.293100      0.1708000    
 O  -0.1100000       2.121700       1.361300    
 O  -0.4094000       1.853700      -1.126500    
 N  -0.9894000     -0.1379000      0.4253000    
 C   -2.723800      -1.958600      9.7000003E-03
 C   -3.386900      0.6337000      8.5000005E-03
 C   -2.744600      -1.872600       1.530100    
 C   -1.875200      -3.128200     -0.4708000    
 C   -4.760900      0.1916000     -0.4774000    
 C   -3.112800       2.089700     -0.3433000    
 C    1.542100      0.6027000      5.9099998E-02
 C    2.025600      0.2132000      -1.177500    
 C    2.298100      0.4652000       1.209900    
 C    4.083200     -0.4782000     -0.1171000    
 C    3.306500     -0.3318000      -1.266200    
 C    3.579100     -7.9800002E-02   1.121000    
 C    5.453100      -1.060400     -0.2118000    
 H   -3.728200      -2.149700     -0.3738000    
 H   -3.377400      0.6037000       1.099900    
 H   -3.088800      -2.839400       1.922400    
 H   -1.764400      -1.716600       1.991200    
 H   -3.452200      -1.151200       1.939300    
 H   -1.869500      -3.189600      -1.565000    
 H   -2.267700      -4.076100     -8.6999997E-02
 H  -0.8345000      -3.039000     -0.1390000    
 H   -5.511300      0.9627000     -0.2668000    
 H   -4.777100      8.0000004E-03  -1.557400    
 H   -5.119900     -0.7060000      3.3000000E-02
 H   -2.371600       2.558500      0.3017000    
 H   -4.019000       2.686600     -0.1769000    
 H   -2.850400       2.228300      -1.397000    
 H    1.433600      0.3126000      -2.082000    
 H    1.920700      0.7622000       2.183400    
 H    3.688300     -0.6383000      -2.236500    
 H    4.174900     -0.1887000       2.023400    
 H    5.717100      -1.600300      0.7039000    
 H    5.521700      -1.777500      -1.036900    
 H    6.188300     -0.2662000     -0.3753000    


%chk=000087851-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000087851

0 1
S -2.649125 -0.063963 -0.754332
S 0.153047 0.533032 -1.506647
O -0.029736 2.160506 -1.614534
O 0.118017 -0.352147 -2.889374
N -0.928621 -0.203507 -0.175301
C -3.198570 -1.951797 -0.671092
C -3.417203 0.742995 0.844295
C -2.725436 -2.569365 0.646414
C -2.575302 -2.586235 -1.921336
C -4.938760 0.548353 0.852881
C -2.962265 2.207596 0.815633
C 1.788979 0.188368 -0.637381
C 2.449951 -1.018635 -0.911845
C 2.309587 1.169727 0.219941
C 4.259251 -0.292991 0.600027
C 3.692863 -1.250813 -0.282323
C 3.553436 0.915850 0.839256
C 5.612367 -0.539161 1.243957
H -4.298835 -1.891703 -0.750634
H -2.914467 0.190810 1.657123
H -2.881590 -3.663621 0.612693
H -1.645339 -2.374988 0.780169
H -3.272379 -2.176636 1.521766
H -2.971246 -2.145510 -2.852226
H -2.798472 -3.669419 -1.923998
H -1.478276 -2.453581 -1.925102
H -5.358790 1.069780 1.733222
H -5.407655 0.988591 -0.045812
H -5.233525 -0.513391 0.924355
H -1.871279 2.283223 0.663980
H -3.214974 2.681825 1.782380
H -3.465201 2.771277 0.009860
H 2.012060 -1.735918 -1.613408
H 1.765624 2.107017 0.374715
H 4.230065 -2.185964 -0.479866
H 3.981750 1.666081 1.514318
H 5.695063 -0.032483 2.221308
H 5.798759 -1.616341 1.398272
H 6.428828 -0.152861 0.603344


