%chk=000004370.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004370

0 1
 S  -0.2752000      -1.839800      0.3728000    
 S   -3.872700     -0.3871000       1.225800    
 O  -0.3674000      -3.056900     -0.4090000    
 O  -0.5508000      -1.851700       1.795900    
 O   -1.065800       2.004200      -1.595600    
 O    1.143100       3.170100     -0.5542000    
 O    5.139300      0.3689000     -0.3905000    
 N   -1.207100     -0.6231000     -0.3679000    
 N   0.4272000       2.199000      0.1590000    
 C   -2.851500       1.071900      0.7046000    
 C   -1.399200      0.6624000      0.3450000    
 C   -2.056400     -0.9757000      -1.521000    
 C   -3.239900      -1.842300      -1.110100    
 C   -4.356700      -1.116100     -0.3700000    
 C   -2.789500       1.958500       1.976600    
 C   -3.580300       1.912200     -0.3617000    
 C  -0.6725000       1.684200     -0.4758000    
 C    1.346700      -1.178200      0.1435000    
 C    2.129000     -0.9043000       1.253000    
 C    1.808100     -0.9448000      -1.141300    
 C    3.409500     -0.3816000       1.072600    
 C    3.088700     -0.4223000      -1.321600    
 C    3.889400     -0.1406000     -0.2146000    
 C    5.904100      0.6330000      0.7846000    
 H  -0.8613000      0.5724000       1.298600    
 H   -1.439200      -1.528000      -2.240400    
 H   -2.388200     -9.2699997E-02  -2.068300    
 H   -3.676400      -2.263800      -2.025000    
 H   -2.916900      -2.703300     -0.5146000    
 H   -4.830100     -0.3645000      -1.007400    
 H   -5.142400      -1.846500     -0.1448000    
 H   -2.332100       1.434300       2.824800    
 H   -2.190900       2.859400       1.795300    
 H   -3.786000       2.295300       2.289000    
 H   -3.124000       2.902900     -0.4738000    
 H   -3.601900       1.450300      -1.349300    
 H   -4.622200       2.098200     -7.0900001E-02
 H   0.7231000       2.013300       1.110800    
 H    1.778600      -1.084300       2.264400    
 H    1.196100      -1.161300      -2.011700    
 H    3.977900     -0.1859000       1.975500    
 H    3.457200     -0.2366000      -2.326800    
 H    1.410800       3.757800      0.1722000    
 H    5.433000       1.401300       1.407100    
 H    6.869600       1.033600      0.4586000    
 H    6.111600     -0.2852000       1.344500    


%chk=000004370-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004370

0 1
S -0.270608 -1.941089 0.191721
S -3.929039 -0.345896 1.323059
O -0.404288 -3.179107 -0.856370
O -0.523439 -2.146441 1.792334
O -0.793402 2.177282 -1.533269
O 1.357268 3.107796 -0.303698
O 5.243470 0.524756 -0.255198
N -1.336486 -0.609974 -0.519332
N 0.482138 2.172095 0.357169
C -2.858360 1.134752 0.727794
C -1.428473 0.596745 0.317576
C -2.272964 -1.047301 -1.570447
C -3.501359 -1.865147 -1.099139
C -4.555822 -1.090950 -0.299212
C -2.689545 2.004270 2.001131
C -3.591170 1.957226 -0.352761
C -0.585476 1.693605 -0.364802
C 1.438401 -1.156573 0.069475
C 2.149058 -0.961622 1.262861
C 1.961582 -0.831534 -1.197902
C 3.439007 -0.387251 1.197180
C 3.244211 -0.264228 -1.261681
C 3.984130 -0.039199 -0.067540
C 6.062419 0.797520 0.932857
H -0.954604 0.333420 1.287022
H -1.702292 -1.673066 -2.280665
H -2.566162 -0.130450 -2.115108
H -3.988381 -2.281215 -2.007131
H -3.137806 -2.728355 -0.512058
H -5.018997 -0.283659 -0.892242
H -5.363345 -1.766946 0.034075
H -2.310012 1.407765 2.851384
H -1.983717 2.834932 1.811220
H -3.660169 2.438664 2.294376
H -3.051691 2.900811 -0.546232
H -3.675324 1.440770 -1.321258
H -4.607582 2.198643 0.005921
H 0.937002 1.735336 1.159969
H 1.704050 -1.268605 2.215583
H 1.380282 -1.004631 -2.108490
H 4.004607 -0.234516 2.120449
H 3.695332 0.015347 -2.217619
H 0.880781 3.211765 -1.192789
H 5.559760 1.517750 1.606055
H 6.990247 1.238780 0.542524
H 6.293168 -0.135676 1.481108


