%chk=000048727.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048727

0 1
 S   -2.381900      0.1872000      0.4922000    
 O  -7.9999998E-04  0.3698000       2.337900    
 O    1.504900      -1.795900      -1.547000    
 O    2.973800       2.421100     -0.4904000    
 N    1.409200       1.431200      0.8725000    
 N    2.160900      0.3497000      -1.068600    
 C   0.2279000     -0.5832000      0.1199000    
 C  -0.9856000     -3.7700001E-02 -0.6542000    
 C  -0.1333000      -1.942000      0.7374000    
 C   0.5348000      0.4161000       1.230800    
 C    1.356500     -0.7658000     -0.8899000    
 C   -1.381100     -0.9786000      -1.780200    
 C   0.9967000      -2.463300       1.596400    
 C    2.220900       1.474600     -0.2547000    
 C   -3.591400      0.8130000     -0.6950000    
 C   -4.911700       1.103900     -7.1999999E-03
 H  -0.7455000      0.9442000      -1.081200    
 H  -0.3319000      -2.698500     -3.0600000E-02
 H   -1.019200      -1.912200       1.379100    
 H   -1.830300      -1.914500      -1.432000    
 H   -2.102400     -0.5053000      -2.454200    
 H  -0.5565000      -1.228600      -2.450400    
 H    1.934800      -2.556500       1.040900    
 H    1.184100      -1.845500       2.478700    
 H   0.7440000      -3.464600       1.964000    
 H    1.527800       2.186000       1.542500    
 H    2.833400      0.3074000      -1.829300    
 H   -3.210100       1.722700      -1.168600    
 H   -3.798900      6.8400003E-02  -1.466100    
 H   -5.336700      0.2029000      0.4485000    
 H   -4.799900       1.867500      0.7701000    
 H   -5.637900       1.479500     -0.7359000    


%chk=000048727-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048727

0 1
S -2.513539 0.061750 0.455459
O -0.009533 0.149397 2.459897
O 1.777897 -1.691061 -1.532346
O 2.457367 2.778815 -0.459766
N 1.059059 1.497945 0.913389
N 2.023245 0.550323 -1.022320
C 0.234058 -0.744437 0.159979
C -1.028923 -0.292564 -0.709811
C 0.060902 -2.167261 0.754319
C 0.411967 0.296899 1.289394
C 1.413506 -0.707943 -0.839368
C -1.418679 -1.304431 -1.801899
C 1.259427 -2.653595 1.597542
C 1.873324 1.694792 -0.212899
C -3.644943 0.941369 -0.794275
C -4.813222 1.584369 -0.032094
H -0.790901 0.687739 -1.167330
H -0.094128 -2.866606 -0.084368
H -0.855059 -2.164673 1.371919
H -1.865163 -2.210749 -1.361013
H -2.166368 -0.855650 -2.478709
H -0.547930 -1.605481 -2.412251
H 2.187051 -2.687844 0.998247
H 1.420955 -2.011286 2.479877
H 1.066227 -3.677750 1.963528
H 1.040004 2.267652 1.590313
H 2.711261 0.630274 -1.778347
H -3.039423 1.703561 -1.316939
H -4.007748 0.199860 -1.525513
H -5.399836 0.825653 0.516021
H -4.453267 2.331959 0.696043
H -5.492987 2.091975 -0.741278


