%chk=000129065.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129065

0 1
 S    1.865600       1.769800      2.4000000E-02
 S   -7.013900      0.2566000     -2.8700000E-02
 O    7.031400       1.079300     -3.1199999E-02
 O   -7.565500     -0.2217000      -1.288700    
 O   -7.596300     -0.1868000       1.230200    
 N    1.808600     -0.8087000      2.0400001E-02
 N  -0.3061000      0.2423000      4.4300001E-02
 N   -6.990700       1.965000     -5.0400000E-02
 C    3.144900     -0.4363000      7.1000000E-03
 C    3.378100      0.9423000      6.8999999E-03
 C    4.253200      -1.310900     -5.7999999E-03
 C    4.677400       1.474600     -5.7999999E-03
 C    5.549400     -0.7878000     -1.8400000E-02
 C    5.756400      0.5873000     -1.8400000E-02
 C    1.053100      0.2646000      3.0099999E-02
 C   -1.113900     -0.9720000      5.0700001E-02
 C    4.059200      -2.796300     -6.0999999E-03
 C    4.931300       2.949200     -6.0999999E-03
 C    6.727800      -1.711300     -3.2200001E-02
 C   -2.587800     -0.6654000      3.0800000E-02
 C   -3.243700     -0.5412000      -1.185700    
 C   -3.269500     -0.5106000       1.229900    
 C   -5.304900     -9.9200003E-02 -5.1000002E-03
 C   -4.609200     -0.2566000      -1.203800    
 C   -4.635000     -0.2261000       1.211900    
 H  -0.8742000      -1.570800      0.9387000    
 H  -0.8569000      -1.593200     -0.8170000    
 H    4.512600      -3.246400      0.8829000    
 H    2.998400      -3.067400      3.8000001E-03
 H    4.495300      -3.243800     -0.9050000    
 H  -0.8097000       1.125900      5.4000001E-02
 H    5.502700       3.238900      0.8826000    
 H    5.483600       3.241800     -0.9059000    
 H    4.014100       3.543700      4.6999999E-03
 H    6.709200      -2.342100     -0.9272000    
 H    7.688800      -1.188200     -3.9900001E-02
 H    6.726500      -2.346900      0.8597000    
 H   -2.710300     -0.6585000      -2.124700    
 H   -2.756100     -0.6042000       2.182700    
 H   -5.109000     -0.1551000      -2.163000    
 H   -5.155300     -0.1007000       2.157200    
 H    7.046000       2.048000     -3.0099999E-02
 H   -7.269300       2.434500     -0.9206000    
 H   -7.288700       2.456600      0.8011000    


%chk=000129065-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129065

0 1
S 2.145875 2.262053 1.418657
S -5.814177 -0.518272 -1.423888
O 6.449117 0.770308 -1.399653
O -5.285302 -1.198886 -2.805965
O -7.106740 -1.058519 -0.591507
N 1.484214 -0.334190 1.003014
N -0.133240 0.876654 2.292267
N -6.157787 1.251472 -1.811769
C 2.740965 -0.143946 0.384009
C 3.276912 1.178772 0.475156
C 3.459846 -1.153831 -0.307122
C 4.505093 1.545485 -0.100844
C 4.708393 -0.821445 -0.898786
C 5.200914 0.508229 -0.785632
C 1.038294 0.762850 1.576981
C -1.026640 -0.278124 2.503351
C 2.891356 -2.555597 -0.401528
C 5.081205 2.947367 -0.016918
C 5.513545 -1.866993 -1.646331
C -2.209818 -0.323992 1.537913
C -1.979550 -0.382023 0.136957
C -3.539078 -0.332435 2.027968
C -4.360136 -0.425986 -0.231907
C -3.060945 -0.433606 -0.766503
C -4.638702 -0.383902 1.141158
H -1.388978 -0.257435 3.547883
H -0.400752 -1.179311 2.378215
H 3.577469 -3.299980 0.045998
H 1.925365 -2.611003 0.123200
H 2.737174 -2.859637 -1.454720
H -0.460432 1.804137 2.558991
H 6.063602 2.964317 0.497613
H 5.210950 3.403721 -1.019283
H 4.416427 3.618093 0.551571
H 4.956036 -2.250006 -2.522740
H 6.466967 -1.449925 -2.001501
H 5.732736 -2.739340 -1.001637
H -0.950143 -0.398045 -0.236477
H -3.722184 -0.302687 3.108599
H -2.904973 -0.506362 -1.847444
H -5.672415 -0.414167 1.499768
H 6.713125 1.713644 -1.265556
H -6.010263 1.388029 -2.825962
H -7.125724 1.456717 -1.511692


