%chk=000002268.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002268

0 1
 S   -1.945500      0.1459000     -0.8906000    
 S   -5.311300     -0.3798000      -1.768700    
 P   -3.990400     -8.0499999E-02 -0.3489000    
 O   -4.374700       1.198100      0.5954000    
 O   -4.053600      -1.239000      0.8035000    
 O   0.8522000      -1.965900      0.2758000    
 N   0.3874000      0.3064000      0.4310000    
 N   0.8261000       1.601500      0.3962000    
 N    2.026100       1.890700      0.2015000    
 C    2.621600     -0.4737000      2.4700001E-02
 C   -1.038400      0.1557000      0.6675000    
 C    1.212600     -0.7929000      0.2538000    
 C    2.964600      0.8714000      9.8000001E-03
 C    3.579000      -1.474000     -0.1707000    
 C    4.304100       1.216000     -0.2069000    
 C    4.908400      -1.116700     -0.3856000    
 C    5.271700      0.2282000     -0.4038000    
 C   -4.455400       2.500600      4.0600002E-02
 C   -3.784500      -2.592200      0.4755000    
 H   -1.220700     -0.7894000       1.187800    
 H   -1.392500      0.9733000       1.303900    
 H    3.308800      -2.525900     -0.1589000    
 H    4.603700       2.261400     -0.2242000    
 H    5.660400      -1.885100     -0.5385000    
 H    6.307400      0.5092000     -0.5711000    
 H   -5.420000       2.630300     -0.4562000    
 H   -3.644800       2.675400     -0.6707000    
 H   -4.376200       3.229000      0.8515000    
 H   -2.959900      -2.667900     -0.2373000    
 H   -4.681600      -3.053800      5.5700000E-02
 H   -3.509700      -3.123200       1.390300    


%chk=000002268-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000002268

0 1
S -1.899940 1.105073 -0.992063
S -4.842316 -0.837384 -1.989362
P -3.781357 -0.101922 -0.383093
O -4.575761 0.965499 0.733613
O -3.256884 -1.172790 0.866486
O 0.228380 -1.485554 0.317148
N 0.443476 0.846593 0.478402
N 1.192592 2.080251 0.447697
N 2.473494 2.028298 0.216509
C 2.419258 -0.460475 0.011227
C -0.979713 1.057383 0.696853
C 0.968537 -0.462095 0.269671
C 3.121789 0.783678 -0.010673
C 3.121524 -1.668705 -0.221755
C 4.518375 0.813203 -0.265123
C 4.504930 -1.632684 -0.473747
C 5.202842 -0.391683 -0.495747
C -5.253890 2.147274 0.157987
C -2.834093 -2.550774 0.495233
H -1.414868 0.222887 1.267731
H -1.114605 2.027634 1.189374
H 2.564091 -2.610227 -0.201941
H 5.024941 1.782721 -0.275423
H 5.050292 -2.564526 -0.655579
H 6.279418 -0.377792 -0.694318
H -6.029888 1.839499 -0.566169
H -4.522631 2.819845 -0.328130
H -5.714308 2.645801 1.023271
H -1.796727 -2.525979 0.127449
H -3.524665 -2.979300 -0.253268
H -2.897394 -3.110651 1.440140


