%chk=000066804.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066804

0 1
 S   -1.630200      0.4983000      -1.098200    
 O   -2.035800       1.891600      -1.110900    
 O   -1.752700     -0.2917000      -2.309500    
 O    4.034800      0.3594000      0.5411000    
 N   -2.417500     -0.3170000      0.2015000    
 N    3.000000      -1.747300      -1.011400    
 C   -2.026500      -1.722900      0.4767000    
 C   -2.661200      0.4467000       1.451800    
 C   7.1599998E-02  0.4506000     -0.6100000    
 C   0.8546000     -0.6199000      -1.001000    
 C   0.5814000       1.485100      0.1529000    
 C   -3.194500      -2.482200       1.076100    
 C   -4.001400       1.152800       1.379600    
 C    2.194700     -0.6570000     -0.6156000    
 C    1.921400       1.448000      0.5382000    
 C    2.728000      0.3769000      0.1540000    
 C    4.333100     -0.2714000       1.784700    
 H   -1.747300      -2.219100     -0.4586000    
 H   -1.162700      -1.755700       1.149400    
 H   -2.627600     -0.1876000       2.342200    
 H   -1.869600       1.186900       1.602100    
 H   0.4452000      -1.430400      -1.597300    
 H  -2.8600000E-02   2.327800      0.4622000    
 H   -3.462300      -2.132000       2.076500    
 H   -4.084100      -2.396400      0.4428000    
 H   -2.943200      -3.544600       1.162200    
 H   -4.049400       1.857500      0.5447000    
 H   -4.814500      0.4306000       1.251600    
 H   -4.185500       1.711600       2.302500    
 H    2.330100       2.257300       1.137200    
 H    3.976400      -1.774100     -0.7495000    
 H    2.606400      -2.491500      -1.571600    
 H    4.014000      -1.318300       1.777600    
 H    3.849200      0.2622000       2.608800    
 H    5.415700     -0.2375000       1.934700    


%chk=000066804-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000066804

0 1
S -1.667472 0.409467 -1.064941
O -2.080342 1.980618 -1.036695
O -1.773657 -0.484720 -2.425418
O 4.072050 -0.135005 0.798671
N -2.808780 -0.486204 0.203948
N 3.021323 -2.021505 -0.749794
C -2.659809 -1.966134 0.044712
C -2.571657 0.016598 1.595079
C 0.117046 0.287641 -0.454303
C 0.858908 -0.840180 -0.848261
C 0.621648 1.321906 0.345555
C -3.983145 -2.656905 0.431294
C -3.273199 1.356530 1.872732
C 2.200375 -0.957913 -0.408252
C 1.963643 1.206037 0.787877
C 2.734638 0.085883 0.425322
C 4.726784 0.884479 1.621769
H -2.450202 -2.159667 -1.022917
H -1.814772 -2.368957 0.648826
H -2.993309 -0.763833 2.258008
H -1.485005 0.073890 1.837297
H 0.416720 -1.582755 -1.521440
H 0.012159 2.199019 0.580017
H -4.247473 -2.483280 1.490286
H -4.805167 -2.273755 -0.195939
H -3.894692 -3.748369 0.276868
H -2.886001 2.154354 1.218238
H -4.356003 1.263132 1.681703
H -3.122375 1.649613 2.928824
H 2.391631 2.000304 1.406214
H 3.982574 -2.025410 -0.418612
H 2.695456 -2.760857 -1.364172
H 4.209140 1.003650 2.592786
H 4.762868 1.856815 1.094505
H 5.748099 0.512212 1.787715


