%chk=000002679.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002679

0 1
 S   -2.828900      0.4637000      -1.193200    
 O    1.081700       2.170600      0.5425000    
 O  -0.1200000      -2.647000       3.021200    
 O   -5.226200       1.357300     -0.6801000    
 O    2.729400       3.634700      0.7443000    
 O   -4.163100      0.3426000       1.081300    
 O    2.067400       2.997900      -1.369800    
 N  -0.7891000      -2.353100      0.7928000    
 N    2.933200      -1.454100      -1.611600    
 N    3.689600      -2.015600      0.6065000    
 N   0.7526000      -2.060300      -2.319700    
 C   -1.647200      -1.697300     -5.6200001E-02
 C   0.1630000      -3.291200      0.2166000    
 C   -1.663100     -0.3462000     -0.1506000    
 C  -0.7387000      0.5623000      0.6438000    
 C    1.474600      -2.634800     -0.1042000    
 C   -2.546400      -2.626500     -0.8262000    
 C   0.2036000       1.375300     -0.2424000    
 C    1.756000      -2.045200      -1.319700    
 C  -0.8262000      -2.129400       2.162400    
 C    2.489200      -2.589500      0.8303000    
 C    3.841500      -1.475000     -0.6175000    
 C   -4.179500      0.7035000     -9.0000004E-02
 C    5.155700     -0.8310000     -0.9026000    
 C    1.971700       2.941900     -0.1512000    
 C   -6.355400       1.616400      0.1618000    
 C    3.719700       4.499200      0.1776000    
 C   -7.414200       2.340300     -0.6423000    
 C    4.469400       5.190300       1.296600    
 H   0.3460000      -4.082200      0.9570000    
 H  -0.2557000      -3.823400     -0.6432000    
 H  -0.1048000      3.2800000E-02   1.358000    
 H   -1.335200       1.245900       1.262500    
 H   -3.559400      -2.229300     -0.9421000    
 H   -2.670100      -3.585000     -0.3078000    
 H   -2.138300      -2.829100      -1.821200    
 H   0.7991000      0.7030000     -0.8695000    
 H  -0.3688000       2.041600     -0.8981000    
 H   -1.623800      -1.424400       2.454200    
 H    2.376200      -3.026000       1.817300    
 H   0.9889000      -1.590600      -3.186200    
 H   0.1559000      -2.873000      -2.397800    
 H    5.921300      -1.166500     -0.1961000    
 H    5.059200      0.2559000     -0.8222000    
 H    5.492900      -1.080900      -1.913300    
 H   -6.757600      0.6678000      0.5345000    
 H   -6.044000       2.238200       1.008600    
 H    3.231600       5.246500     -0.4579000    
 H    4.417600       3.908100     -0.4259000    
 H   -7.020700       3.282700      -1.037500    
 H   -7.722400       1.738500      -1.503600    
 H   -8.293400       2.554400     -2.8200001E-02
 H    5.236300       5.860500      0.8981000    
 H    4.948300       4.454700       1.951400    
 H    3.781600       5.770900       1.920200    


%chk=000002679-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002679

0 1
S -2.881218 0.801707 -1.164080
O 1.076895 2.480184 0.275377
O -0.228870 -2.700055 2.931656
O -5.349662 1.319911 -0.439723
O 2.607269 4.091179 0.457494
O -4.282649 -0.127490 1.065068
O 1.928191 3.435424 -1.696467
N -0.815886 -2.255170 0.705849
N 3.341562 -1.853167 -1.306713
N 3.870560 -2.897498 0.824224
N 1.170792 -1.707114 -2.136404
C -1.679272 -1.523335 -0.191367
C 0.112836 -3.318068 0.210134
C -1.585556 -0.154974 -0.238533
C -0.538597 0.706894 0.441080
C 1.548983 -2.861496 0.022698
C -2.731156 -2.354299 -0.900457
C 0.221695 1.591649 -0.559995
C 2.012161 -2.141485 -1.129484
C -0.906466 -2.055321 2.088018
C 2.540658 -3.194513 0.967027
C 4.215755 -2.245048 -0.332131
C -4.293862 0.572778 0.035762
C 5.673528 -1.926449 -0.551489
C 1.879499 3.347748 -0.447514
C -6.611786 1.283438 0.387092
C 3.548972 5.082777 -0.155887
C -7.613780 2.184980 -0.321226
C 4.246196 5.784060 1.003411
H 0.097028 -4.129418 0.959227
H -0.294718 -3.713848 -0.738677
H 0.189739 0.076562 0.978340
H -1.021548 1.367483 1.186732
H -3.115009 -1.853119 -1.803049
H -3.583633 -2.527312 -0.215399
H -2.337747 -3.347205 -1.181189
H 0.865370 0.996341 -1.231225
H -0.457467 2.217228 -1.167175
H -1.662409 -1.287614 2.356864
H 2.257834 -3.721280 1.885918
H 1.603090 -1.238364 -2.931671
H 0.158815 -1.704574 -2.036975
H 6.266511 -2.283250 0.303198
H 5.815733 -0.837769 -0.673229
H 6.036258 -2.403510 -1.479737
H -6.946704 0.232566 0.447574
H -6.359755 1.635762 1.402986
H 2.961912 5.777504 -0.783331
H 4.253456 4.534631 -0.807078
H -7.235475 3.218641 -0.389604
H -7.823432 1.820060 -1.340705
H -8.562657 2.198749 0.245281
H 4.961319 6.530244 0.611737
H 4.801814 5.060607 1.623579
H 3.515883 6.304534 1.645784


