%chk=000088983.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088983

0 1
 O    1.513900      -1.959600       1.270500    
 O  -0.1703000      0.6418000      -2.257500    
 O    2.977200       2.340200      0.6175000    
 N    2.170700      0.2218000       1.001500    
 N    1.329000       1.521600     -0.7605000    
 C   0.1648000     -0.5577000     -0.1768000    
 C  -0.9983000     -9.5899999E-02  0.7193000    
 C   -2.266200      0.2412000     -8.7099999E-02
 C  -0.2460000      -1.835500     -0.9229000    
 C    1.343700     -0.8610000      0.7426000    
 C   0.4242000      0.5591000      -1.182900    
 C   -1.317200      -1.180600       1.751200    
 C   -3.416300      0.7658000      0.7760000    
 C   0.9071000      -2.383000      -1.733500    
 C    2.200800       1.431500      0.3179000    
 C   -4.617100       1.150400     -7.5300001E-02
 H  -0.6990000      0.8069000       1.270200    
 H   -2.633500     -0.6355000     -0.6310000    
 H   -2.055100       1.017700     -0.8281000    
 H   -1.075100      -1.660700      -1.616700    
 H  -0.5593000      -2.638100     -0.2486000    
 H   -2.022300     -0.7888000       2.493800    
 H  -0.4650000      -1.495700       2.354100    
 H   -1.796800      -2.063300       1.318800    
 H   -3.085600       1.638400       1.350700    
 H   -3.747100      5.5000000E-03   1.490300    
 H    1.288700      -1.657500      -2.458200    
 H    1.744500      -2.718800      -1.116000    
 H   0.5701000      -3.255900      -2.304400    
 H    2.882700      8.9100003E-02   1.714400    
 H    1.420500       2.346900      -1.346300    
 H   -4.357700       1.941400     -0.7861000    
 H   -4.990800      0.2898000     -0.6392000    
 H   -5.429000       1.518800      0.5597000    


%chk=000088983-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088983

0 1
O 1.591074 -2.091820 1.177285
O -0.125545 0.784758 -2.222076
O 2.947708 2.338066 0.893214
N 2.145395 0.149450 1.104818
N 1.319916 1.559118 -0.596385
C 0.163900 -0.630454 -0.213953
C -1.054685 -0.174488 0.756556
C -2.376623 0.034110 -0.036044
C -0.205674 -1.872585 -1.067813
C 1.350619 -0.950206 0.709775
C 0.440155 0.584186 -1.116434
C -1.262082 -1.155879 1.935471
C -3.359712 0.992022 0.680922
C 0.923942 -2.354499 -2.004103
C 2.182694 1.420621 0.505450
C -4.680318 1.161349 -0.101054
H -0.756806 0.808764 1.180767
H -2.871609 -0.946165 -0.186343
H -2.168830 0.442313 -1.043051
H -1.091292 -1.617071 -1.673329
H -0.483627 -2.690934 -0.380991
H -2.153320 -0.849359 2.511054
H -0.406978 -1.175754 2.631738
H -1.428713 -2.187923 1.580824
H -2.875215 1.981978 0.806711
H -3.583956 0.621412 1.700847
H 1.205441 -1.571376 -2.730653
H 1.819921 -2.658366 -1.434958
H 0.585109 -3.233176 -2.581552
H 2.852236 -0.022421 1.827379
H 1.407999 2.434591 -1.122665
H -4.491359 1.556274 -1.116728
H -5.204538 0.193302 -0.209904
H -5.365031 1.860462 0.412625


