%chk=000095887.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095887

0 1
 S  -0.3144000      -3.047100     -0.6031000    
 O   0.2279000      -4.360300     -0.3081000    
 O  -0.8424000      -2.766000      -1.924300    
 O    3.422500       2.727200     -0.8484000    
 N   -1.481500      -2.636500      0.5976000    
 N   -2.068700     -0.6034000     -0.4580000    
 N    3.993000      0.8785000      0.4988000    
 N   -2.615800      0.5633000       2.003500    
 C   0.9713000      -1.875900     -0.2747000    
 C   0.9461000     -0.6510000     -0.9161000    
 C    1.974500      -2.209500      0.6170000    
 C   -1.925700      -1.285800      0.6923000    
 C    2.979700     -4.5299999E-02  0.2395000    
 C    1.959200      0.2723000     -0.6569000    
 C    2.987300      -1.286200      0.8763000    
 C   -2.488100      0.6718000     -0.3816000    
 C   -2.765300       1.262600      0.8649000    
 C   -2.195500     -0.7108000       1.905600    
 C   -2.653800       1.426200      -1.540700    
 C   -3.197900       2.586000      0.9060000    
 C   -3.087300       2.749900      -1.488500    
 C   -3.360500       3.332200     -0.2599000    
 C    4.151900       2.162000     -3.9900001E-02
 C    5.383500       2.845800      0.4987000    
 H   -1.454500      -3.164300       1.479300    
 H   0.1870000     -0.3930000      -1.646100    
 H    1.993500      -3.166400       1.129000    
 H    1.890500       1.207800      -1.194200    
 H    3.775300      -1.546400       1.578600    
 H   -2.085900      -1.242400       2.843200    
 H    4.700300      0.5718000       1.163700    
 H   -2.442100      0.9817000      -2.511200    
 H   -3.415800       3.055500       1.863300    
 H   -3.209400       3.320200      -2.404200    
 H   -3.698700       4.362400     -0.2052000    
 H    5.294600       2.967000       1.582000    
 H    5.491500       3.831700      3.8199998E-02
 H    6.270200       2.248400      0.2690000    


%chk=000095887-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095887

0 1
S -0.174280 -2.852516 -0.341332
O 0.255277 -4.294304 0.283549
O -0.794052 -2.736625 -1.830282
O 4.171366 2.630671 -1.144994
N -1.409523 -2.310173 0.959407
N -1.877910 -0.212327 -0.015791
N 4.640987 0.798096 0.247548
N -4.207501 -0.020538 1.658446
C 1.269955 -1.672742 -0.149298
C 1.281188 -0.477616 -0.882532
C 2.316682 -2.079063 0.694668
C -2.225492 -1.192519 0.841866
C 3.481102 -0.002740 0.081792
C 2.401290 0.369713 -0.768875
C 3.429963 -1.227793 0.806772
C -2.702222 0.904154 -0.066116
C -3.875439 1.008935 0.777529
C -3.409501 -1.090507 1.685167
C -2.395439 1.973160 -0.961778
C -4.705018 2.166191 0.705687
C -3.223142 3.100121 -1.013318
C -4.381634 3.200477 -0.178875
C 4.944012 2.034721 -0.341815
C 6.294825 2.616703 0.064836
H -1.707214 -3.130435 1.501199
H 0.428616 -0.213969 -1.514073
H 2.265280 -3.035166 1.224296
H 2.455335 1.309128 -1.320614
H 4.265101 -1.517980 1.455970
H -3.673379 -1.900856 2.375484
H 5.348361 0.419102 0.881037
H -1.508889 1.882638 -1.596927
H -5.584670 2.210094 1.355425
H -2.984045 3.917833 -1.702008
H -5.014936 4.091809 -0.238288
H 6.133288 3.606230 0.525773
H 6.902510 2.776158 -0.842334
H 6.865650 1.985935 0.768195


