%chk=000089207.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089207

0 1
 S  -0.9363000      0.9629000       1.854600    
 S    4.829200     -0.1306000     -0.5040000    
 O    4.728700     -0.2411000      -1.952500    
 O    5.760200      0.8229000      8.4700003E-02
 N   -1.284700      -1.341100     -0.2747000    
 N   -2.636300      -3.881100      8.2000000E-03
 C  -0.3768000     -0.4184000     -0.9532000    
 C   -2.402800      -1.711500      -1.150900    
 C  -0.5681000      -2.540200      0.1768000    
 C   -1.110300      0.7881000      -1.561800    
 C   -3.353700      -2.682300     -0.4426000    
 C   -1.519700      -3.510000      0.8858000    
 C   0.8062000      1.1200000E-02 -0.1103000    
 C   -1.757800       1.878300     -0.7281000    
 C   0.6585000      0.6660000       1.123700    
 C    2.104900     -0.2220000     -0.5990000    
 C   -3.543800      -4.805300      0.6853000    
 C   -1.720800       2.043500      0.6686000    
 C    3.229000      0.1766000      0.1237000    
 C    1.795300       1.057600       1.847400    
 C   -2.458000       2.845800      -1.490000    
 C    3.073900      0.8168000       1.347300    
 C   -2.390400       3.142300       1.249900    
 C   -3.107600       3.928900     -0.9012000    
 C   -3.074500       4.076500      0.4746000    
 C    5.255800      -1.733800      0.1376000    
 H   3.1599998E-02 -0.9602000      -1.821100    
 H   -2.046600      -2.157500      -2.089100    
 H   -3.026100     -0.8472000      -1.398700    
 H   0.2194000      -2.291200      0.8966000    
 H  -8.7800004E-02  -3.053000     -0.6681000    
 H   -1.823000      0.4597000      -2.328500    
 H  -0.3442000       1.323900      -2.147900    
 H   -3.837200      -2.174900      0.4036000    
 H   -4.144700      -2.967500      -1.147000    
 H  -0.9537000      -4.407400       1.163800    
 H   -1.886500      -3.053800       1.815600    
 H    2.228600     -0.7269000      -1.554500    
 H   -3.013700      -5.717800      0.9799000    
 H   -4.350600      -5.114400      1.1500000E-02
 H   -3.993600      -4.363200       1.581700    
 H    1.698900       1.552800       2.811400    
 H   -2.497700       2.754300      -2.574700    
 H    3.932800       1.128900       1.934500    
 H   -2.386300       3.288000       2.329500    
 H   -3.635300       4.649700      -1.517900    
 H   -3.578100       4.913800      0.9481000    
 H    4.529200      -2.464800     -0.2220000    
 H    6.253000      -1.990200     -0.2265000    
 H    5.257000      -1.691200       1.228400    


%chk=000089207-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089207

0 1
S -0.448849 1.589217 1.831251
S 5.169312 -0.633866 -0.536401
O 5.003210 -0.873735 -2.148076
O 6.328092 0.333497 0.097580
N -1.129422 -0.964782 -0.412474
N -2.689844 -3.378366 0.043698
C -0.122637 -0.095139 -1.084210
C -2.205177 -1.384561 -1.350499
C -0.538214 -2.161523 0.243389
C -0.754529 1.252827 -1.582781
C -3.285009 -2.193135 -0.614550
C -1.626341 -2.954924 0.983239
C 1.092614 0.181600 -0.205940
C -1.876919 1.827358 -0.733515
C 1.044059 0.946747 0.993464
C 2.355441 -0.289626 -0.642240
C -3.703731 -4.236789 0.684288
C -1.826558 1.993501 0.673622
C 3.501500 -0.026899 0.118437
C 2.230704 1.217303 1.730247
C -3.063093 2.249453 -1.395158
C 3.479514 0.728563 1.300820
C -2.925223 2.548954 1.380370
C -4.156619 2.811976 -0.706741
C -4.086656 2.958282 0.696983
C 5.404740 -2.363572 0.255814
H 0.272692 -0.608261 -2.000375
H -1.786681 -2.007400 -2.181768
H -2.677171 -0.489353 -1.788832
H 0.223215 -1.833586 0.971634
H -0.044115 -2.835095 -0.501922
H -1.143714 1.105145 -2.606162
H 0.069953 1.985941 -1.677556
H -3.792296 -1.520978 0.124050
H -4.043845 -2.533830 -1.344112
H -1.174227 -3.856254 1.438495
H -2.034679 -2.315759 1.807757
H 2.442314 -0.842306 -1.585189
H -3.216699 -5.131850 1.111591
H -4.436029 -4.574435 -0.071170
H -4.265718 -3.723025 1.505556
H 2.172169 1.833981 2.633330
H -3.114988 2.131837 -2.484994
H 4.406058 0.965142 1.833963
H -2.866834 2.665820 2.468864
H -5.049318 3.129804 -1.255399
H -4.923300 3.388096 1.257892
H 4.573621 -2.992268 -0.091497
H 6.375949 -2.713404 -0.121204
H 5.408780 -2.220423 1.344930


