%chk=000002617.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002617

-1 1
 S   0.4234000       1.338800      -1.353500    
 S   -4.206100      0.3844000     -0.9886000    
 S   -7.222800      0.6710000      -1.283500    
 O   0.9890000      -3.180900     -0.4150000    
 O    4.352600      0.9201000     -0.8680000    
 O   -2.434300      -2.716800     -0.4213000    
 O   -1.952000      -2.380600       1.789500    
 N   0.1801000     -0.9897000     -0.1073000    
 N    3.404900      -1.073700     -0.1507000    
 N    6.744800      0.4141000      0.4505000    
 N    7.650100      0.3554000     -0.5214000    
 N   -5.978700       1.001800      0.9322000    
 N    8.057100       2.068400      0.8463000    
 N    8.459200       1.378500     -0.2751000    
 N   -7.315400       1.218000       1.218000    
 C    1.108300      0.1196000     -0.2090000    
 C    2.107600     -0.8992000     -0.8024000    
 C    1.055200      -1.974200     -0.4008000    
 C   -1.136400     -0.8615000      0.1969000    
 C   -1.750500      0.3431000      0.1476000    
 C   -1.067100       1.619400     -0.3369000    
 C   -3.201700      0.5852000      0.4916000    
 C    4.431500     -0.1334000     -0.2417000    
 C   -1.922500      -2.116500      0.5593000    
 C    5.664200     -0.5644000      0.5232000    
 C   -5.814100      0.7125000     -0.3282000    
 C    6.984900       1.446200       1.279400    
 C   -8.071900       1.077000      0.1505000    
 C   -9.539400       1.237600      0.1184000    
 H    1.394900      0.5193000      0.7715000    
 H    2.231600     -0.8569000      -1.893100    
 H  -0.7948000       2.233700      0.5285000    
 H   -1.747400       2.209500     -0.9591000    
 H    3.584300      -1.913700      0.3947000    
 H   -3.326400       1.590900      0.9100000    
 H   -3.538200     -0.1165000       1.262200    
 H    6.043300      -1.510700      0.1230000    
 H    5.414800     -0.6985000       1.581200    
 H    6.388200       1.701700       2.142600    
 H   -9.919500       1.496000       1.112100    
 H   -10.02960      0.3104000     -0.1953000    
 H   -9.832200       2.037900     -0.5688000    


%chk=000002617-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002617

-1 1
S -0.522588 1.518164 0.330862
S -4.677727 -1.481531 -0.524475
S -7.092162 0.354341 -1.363267
O 1.312832 -2.148522 -1.942149
O 4.048362 1.772937 -0.401948
O -2.662162 -3.513109 -0.536720
O -0.466756 -3.953906 0.172226
N 0.051273 -1.174986 -0.068281
N 3.154318 -0.332499 0.066154
N 6.665860 0.758729 0.227649
N 7.862437 0.009411 0.128344
N -5.482738 0.934500 0.699315
N 8.227489 2.156986 -0.524215
N 8.790064 0.870256 -0.328391
N -6.419605 1.989623 0.638922
C 0.635343 0.037174 0.543098
C 1.823721 -0.069372 -0.469618
C 1.077288 -1.346741 -1.023710
C -1.239940 -1.689091 0.174171
C -2.183266 -0.862269 0.747186
C -2.002726 0.604884 1.115916
C -3.546214 -1.400094 1.064191
C 4.165952 0.599259 0.060350
C -1.473320 -3.197822 -0.110541
C 5.459806 0.114924 0.756268
C -5.664514 -0.003477 -0.239620
C 6.921977 2.047496 -0.167731
C -7.306977 1.870772 -0.342748
C -8.390225 2.868566 -0.624369
H 0.885227 -0.082328 1.609815
H 1.875030 0.771067 -1.180212
H -1.909582 0.725099 2.211954
H -2.892583 1.178102 0.798431
H 3.343818 -1.286071 0.386534
H -4.099616 -0.766400 1.774960
H -3.536571 -2.457008 1.359797
H 5.608037 -0.972402 0.649141
H 5.366869 0.341533 1.836294
H 6.165320 2.822442 -0.219534
H -8.321154 3.681798 0.116716
H -9.393833 2.410187 -0.555346
H -8.287762 3.302680 -1.635916


