%chk=000077991.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077991

0 1
 O   -1.662600      0.3976000     -0.5173000    
 O   -1.685900     -0.7248000       1.507300    
 N    3.261600      -1.372800      9.5700003E-02
 N   -3.481400     -0.9374000      4.4199999E-02
 C    3.205300     -3.2400001E-02 -0.5166000    
 C    1.964300      0.7099000     -0.1521000    
 C    3.377900     -0.1928000      -2.038100    
 C   0.7161000      0.2003000     -0.5097000    
 C    2.052000       1.913800      0.5470000    
 C    3.225400      -1.259300       1.549000    
 C    4.464400      -2.071400     -0.3426000    
 C  -0.4108000      0.9083000     -0.1586000    
 C   0.8914000       2.608000      0.8883000    
 C  -0.3568000       2.098500      0.5306000    
 C   -4.121500     -0.5999000      -1.223100    
 C   -2.231500     -0.4480000      0.4396000    
 C   -4.225000      -1.835300      0.9162000    
 C   -4.982900      0.6376000      -1.059900    
 H    4.072500      0.5524000     -0.1747000    
 H    2.699000     -0.9445000      -2.458400    
 H    4.404700     -0.4464000      -2.322400    
 H    3.152200      0.7544000      -2.544300    
 H   0.6266000     -0.7359000      -1.052900    
 H    3.016100       2.324900      0.8343000    
 H    2.273000     -0.8594000       1.912300    
 H    4.039400     -0.6375000       1.940300    
 H    3.314200      -2.250300       2.010000    
 H    4.593500      -2.998600      0.2300000    
 H    5.375400      -1.477100     -0.2052000    
 H    4.397300      -2.403200      -1.383700    
 H   0.9593000       3.545400       1.432700    
 H   -1.260300       2.638600      0.7952000    
 H   -3.357300     -0.4153000      -1.984900    
 H   -4.722200      -1.450900      -1.562000    
 H   -5.195500      -1.388500       1.148900    
 H   -3.690100      -2.023000       1.850700    
 H   -4.373500      -2.787300      0.3983000    
 H   -5.778200      0.4765000     -0.3248000    
 H   -4.388300       1.493900     -0.7247000    
 H   -5.451800      0.9013000      -2.012900    


%chk=000077991-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000077991

0 1
O -1.741120 0.501552 -0.324325
O -1.371916 -1.260947 1.223733
N 3.104324 -1.361185 0.176718
N -3.330096 -1.136579 -0.075814
C 3.270790 0.008464 -0.385895
C 2.000386 0.844982 -0.180927
C 3.602262 -0.025401 -1.901339
C 0.725265 0.243028 -0.297744
C 2.092970 2.238897 0.052918
C 2.882488 -1.338720 1.641767
C 4.189466 -2.300255 -0.175573
C -0.428196 1.038833 -0.160857
C 0.924766 3.026475 0.164764
C -0.350475 2.428987 0.062753
C -4.137163 -0.410612 -1.084334
C -2.093408 -0.707842 0.356983
C -3.929118 -2.315728 0.570711
C -5.014531 0.701508 -0.469740
H 4.113647 0.543353 0.131153
H 2.853245 -0.634244 -2.439368
H 4.607754 -0.435432 -2.099881
H 3.568271 0.999195 -2.310272
H 0.661330 -0.838045 -0.450355
H 3.080180 2.707172 0.151472
H 2.000333 -0.725334 1.884484
H 3.760185 -0.933718 2.207074
H 2.685773 -2.365137 1.997821
H 3.974444 -3.279244 0.288628
H 5.199234 -1.968923 0.180121
H 4.239834 -2.452826 -1.265602
H 1.004058 4.104325 0.344520
H -1.270258 3.013745 0.159231
H -3.456938 0.022063 -1.834819
H -4.772037 -1.160887 -1.592949
H -4.889854 -2.054062 1.053463
H -3.233814 -2.690636 1.336690
H -4.111708 -3.114323 -0.173036
H -5.702709 0.299706 0.296010
H -4.378499 1.471542 -0.000964
H -5.623163 1.185652 -1.255519


