%chk=000108554.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108554

0 1
 O    1.776200      0.9966000       1.776600    
 O   -3.080100      -2.100000     -0.5962000    
 O   -5.930200       1.692000      -1.053700    
 N    2.812000     -0.3849000      0.1516000    
 N    2.520600      -1.562900     -0.5021000    
 N  -0.4297000     -0.4801000      0.4251000    
 N   -1.424100     -0.6734000       1.162700    
 C   0.7790000      -1.071000      0.9715000    
 C    1.376100      -1.972700     -5.4800000E-02
 C    1.820500      5.4000001E-03   1.067400    
 C    3.988000      0.2858000     -0.1439000    
 C   0.7101000      -3.227500     -0.5031000    
 C    4.294800       1.491400      0.4977000    
 C    4.881600     -0.2357000      -1.086400    
 C   -2.567800     -8.5100003E-02  0.5971000    
 C    5.479000       2.166100      0.2009000    
 C    6.065800      0.4389000      -1.383200    
 C   -3.377300     -0.8098000     -0.2737000    
 C    6.364500       1.639800     -0.7396000    
 C   -2.881600       1.233300      0.9168000    
 C   -4.508700     -0.2119000     -0.8286000    
 C   -4.826500       1.108700     -0.5109000    
 C   -4.013000       1.831200      0.3618000    
 C   -3.633300      -3.119000      0.2339000    
 C   -6.196000       3.044900     -0.6872000    
 H   0.6638000      -1.590600       1.928100    
 H   0.4650000      -3.840400      0.3681000    
 H    1.370000      -3.792400      -1.166500    
 H  -0.2101000      -2.981300      -1.038700    
 H    3.661500       1.962300       1.236900    
 H    4.686300      -1.168300      -1.609200    
 H    5.712900       3.101300      0.7014000    
 H    6.755800      2.9500000E-02  -2.115300    
 H    7.286600       2.165000     -0.9707000    
 H   -2.253000       1.803300       1.596300    
 H   -5.142900     -0.7735000      -1.510000    
 H   -4.201100       2.859500      0.6511000    
 H   -3.294100      -4.088100     -0.1422000    
 H   -4.726900      -3.092000      0.1963000    
 H   -3.289700      -3.005700       1.266900    
 H   -5.398100       3.716700      -1.021600    
 H   -6.395600       3.139400      0.3857000    
 H   -7.109000       3.348100      -1.210000    


%chk=000108554-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108554

0 1
O 1.337294 -0.429479 1.665820
O -3.611099 -1.252829 2.247829
O -6.570737 1.598842 -0.026466
N 2.775316 -0.551255 -0.247781
N 2.680634 -1.017230 -1.611194
N -0.631321 -0.628168 -0.742899
N -1.531720 -0.955199 0.147806
C 0.611583 -1.425708 -0.535665
C 1.465924 -1.500823 -1.785109
C 1.581235 -0.736925 0.471062
C 4.011541 0.022611 0.183398
C 0.998745 -2.027127 -3.103943
C 4.147497 0.539723 1.499439
C 5.105204 0.068598 -0.720258
C -2.756566 -0.244443 0.080495
C 5.381316 1.097911 1.896025
C 6.328547 0.631093 -0.302938
C -3.737277 -0.466486 1.114081
C 6.477131 1.148951 1.004787
C -3.083323 0.652311 -0.981831
C -4.997213 0.172102 1.022783
C -5.294947 1.031470 -0.050364
C -4.325137 1.284335 -1.068980
C -2.332776 -1.839486 2.700595
C -6.932687 2.527868 -1.103630
H 0.368913 -2.428460 -0.125882
H 0.700930 -3.090174 -3.027796
H 1.789223 -1.931700 -3.865097
H 0.104602 -1.464585 -3.432464
H 3.302953 0.501094 2.190413
H 4.980581 -0.331223 -1.728669
H 5.481333 1.495614 2.912117
H 7.168953 0.664015 -1.005291
H 7.430352 1.584440 1.323015
H -2.317778 0.816043 -1.746983
H -5.735951 0.001577 1.809075
H -4.542991 1.952324 -1.906327
H -2.549047 -2.173577 3.727573
H -1.519366 -1.095501 2.685857
H -2.044983 -2.687731 2.059845
H -6.917652 2.024708 -2.089176
H -6.258996 3.405552 -1.119765
H -7.956940 2.849827 -0.867208


