%chk=000012942.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012942

0 1
 O    2.181000      0.6957000       1.940400    
 O   -1.987700       1.890100       1.785300    
 O  -0.5274000      -1.297400      -1.309700    
 N   0.8942000     -0.4818000      0.3546000    
 N   -1.413200      0.1803000      0.2675000    
 C   0.2631000       1.766500       1.037700    
 C   0.5404000       2.569400     -0.2288000    
 C    1.968000       3.115200     -0.2449000    
 C    1.226600      0.6165000       1.167300    
 C   -1.169100       1.303300       1.077700    
 C    2.252500       3.890400      -1.531000    
 C  -0.3714000     -0.6194000     -0.2870000    
 C    1.887400      -1.512300      0.1360000    
 C   -2.783300     -0.1709000     -4.1400000E-02
 C    3.682200       4.406400      -1.565900    
 C    3.236900      -1.180000      0.1501000    
 C   -3.748500      0.8264000     -0.1147000    
 C    1.481200      -2.823000     -8.4899999E-02
 C   -3.118900      -1.501500     -0.2622000    
 C    4.193900      -2.172600     -6.0100000E-02
 C   -5.068600      0.4883000     -0.4126000    
 C    2.438400      -3.815600     -0.2950000    
 C   -4.438900      -1.839400     -0.5603000    
 C    3.794800      -3.490300     -0.2825000    
 C   -5.413800     -0.8444000     -0.6355000    
 H   0.4121000       2.410800       1.915100    
 H  -0.1715000       3.402100     -0.2968000    
 H   0.3798000       1.957800      -1.125400    
 H    2.124500       3.768100      0.6223000    
 H    2.694400       2.298600     -0.1718000    
 H    1.561100       4.736800      -1.615800    
 H    2.083900       3.244900      -2.400900    
 H    4.399000       3.580400      -1.518600    
 H    3.876900       5.079300     -0.7248000    
 H    3.862800       4.959900      -2.492600    
 H    3.592800     -0.1613000      0.2637000    
 H   -3.516700       1.880900     -4.4000000E-03
 H   0.4389000      -3.126000     -5.5399999E-02
 H   -2.400800      -2.310300     -0.1665000    
 H    5.249800      -1.917900     -6.2799998E-02
 H   -5.825700       1.263900     -0.4835000    
 H    2.128600      -4.843700     -0.4581000    
 H   -4.710400      -2.878300     -0.7239000    
 H    4.540000      -4.263200     -0.4466000    
 H   -6.441500      -1.107700     -0.8681000    


%chk=000012942-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000012942

0 1
O 2.430674 0.511362 1.537132
O -2.045284 2.004729 1.332028
O -0.750006 -1.897667 -0.914731
N 0.886624 -0.681728 0.242231
N -1.428492 0.051989 0.195786
C 0.333594 1.627806 0.993495
C 0.675479 2.620112 -0.183753
C 2.033028 3.334307 -0.013587
C 1.301842 0.458558 0.988352
C -1.137241 1.255291 0.894208
C 2.349024 4.266856 -1.205949
C -0.447100 -0.900555 -0.220034
C 1.866676 -1.732300 -0.027262
C -2.823747 -0.252145 -0.118632
C 3.690840 5.010643 -1.032579
C 2.967777 -1.445294 -0.861148
C -3.523009 0.574865 -1.022257
C 1.713394 -3.007226 0.556377
C -3.456220 -1.353977 0.493997
C 3.927774 -2.448793 -1.113041
C -4.874590 0.293472 -1.316088
C 2.673061 -4.008836 0.295600
C -4.806172 -1.634053 0.191578
C 3.781761 -3.731805 -0.537138
C -5.517718 -0.811356 -0.711940
H 0.474784 2.176207 1.940262
H -0.136389 3.372052 -0.213095
H 0.649946 2.070461 -1.146756
H 2.017018 3.927220 0.923337
H 2.846792 2.593908 0.105301
H 1.529416 5.004212 -1.327271
H 2.374050 3.671403 -2.141687
H 4.530336 4.296974 -0.935614
H 3.680320 5.639713 -0.122874
H 3.902221 5.667841 -1.895692
H 3.074662 -0.448457 -1.301322
H -3.018512 1.430530 -1.482398
H 0.851398 -3.215791 1.197816
H -2.898519 -1.987806 1.190772
H 4.785543 -2.229703 -1.757732
H -5.422626 0.934405 -2.014809
H 2.555449 -5.001633 0.742613
H -5.300470 -2.491073 0.661157
H 4.526392 -4.510188 -0.736157
H -6.565982 -1.029529 -0.943298


