%chk=000050051.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050051

0 1
 O    3.783900     -0.3484000     -0.8395000    
 O   -3.043400      -1.256800      0.5312000    
 O   -2.546800      0.9662000      0.7358000    
 N   -6.573600     -0.3987000     -0.1095000    
 N  -0.9165000     -0.6164000      0.1545000    
 C    6.034600     -0.8375000     -0.1851000    
 C    7.348700     -0.2674000      0.3413000    
 C    4.982500      0.2479000     -0.3635000    
 C   -5.176400     -0.6778000     -0.4058000    
 C   -4.405300     -0.9718000      0.8712000    
 C    2.608000      0.2660000     -0.4948000    
 C    8.382700      -1.360500      0.5589000    
 C   0.2479000      0.1378000      4.9999999E-03
 C    1.444200     -0.4881000     -0.3454000    
 C   -6.737000      0.9752000      0.3716000    
 C   -7.408800     -0.6227000      -1.292200    
 C    2.575500       1.645900     -0.2934000    
 C   0.2155000       1.517600      0.2063000    
 C    1.379300       2.271800      5.7100002E-02
 C   -2.194900     -0.1823000      0.4962000    
 H    5.651600      -1.603200      0.5014000    
 H    6.198000      -1.348400      -1.142200    
 H    7.745200      0.4692000     -0.3671000    
 H    7.176200      0.2547000       1.289700    
 H    4.833900      0.7338000      0.6097000    
 H    5.328300      0.9904000      -1.092000    
 H   -4.705000      0.1308000     -0.9797000    
 H   -5.087700      -1.569700      -1.041700    
 H   -4.458000     -0.1665000       1.611500    
 H   -4.805500      -1.869500       1.356500    
 H    8.602300      -1.884400     -0.3768000    
 H    9.316200     -0.9299000      0.9344000    
 H    8.029500      -2.095100       1.289700    
 H    1.478200      -1.563400     -0.5040000    
 H   -6.404600       1.714800     -0.3662000    
 H   -7.790500       1.174500      0.5999000    
 H   -6.189300       1.146400       1.303300    
 H   -8.463300     -0.4362000      -1.060000    
 H   -7.119300      2.2900000E-02  -2.129400    
 H   -7.342300      -1.666200      -1.619700    
 H    3.452000       2.273100     -0.4265000    
 H  -0.6727000       2.071400      0.4774000    
 H  -0.8210000      -1.616200     -7.3000002E-03
 H    1.353400       3.347200      0.2075000    


%chk=000050051-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050051

0 1
O 3.761168 -0.487833 0.197211
O -3.148613 -1.116848 0.830444
O -2.721547 1.204888 0.761965
N -6.640876 -0.382987 -0.425944
N -1.008818 -0.435908 0.630593
C 6.123905 -0.927276 -0.058034
C 7.556221 -0.356841 -0.182111
C 5.073732 0.176389 0.082244
C -5.212365 -0.761918 -0.511198
C -4.606193 -0.831732 0.903601
C 2.622630 0.325364 0.312127
C 8.617673 -1.466535 -0.340539
C 0.181722 0.336121 0.530742
C 1.399273 -0.374509 0.413343
C -6.845629 1.076687 -0.309627
C -7.478684 -0.978539 -1.484934
C 2.642093 1.742771 0.328779
C 0.181102 1.758199 0.546422
C 1.413605 2.432335 0.445348
C -2.312170 0.017169 0.737297
H 6.059941 -1.597817 0.820399
H 5.883835 -1.539917 -0.948121
H 7.607706 0.329459 -1.052060
H 7.790803 0.254184 0.713339
H 5.260105 0.791040 0.987980
H 5.076430 0.843220 -0.805569
H -4.616646 -0.050207 -1.132121
H -5.131827 -1.757618 -0.983445
H -4.757568 0.114770 1.449711
H -5.031475 -1.671160 1.473420
H 8.426108 -2.070296 -1.247181
H 9.634711 -1.042315 -0.424494
H 8.606920 -2.152041 0.527463
H 1.424088 -1.469991 0.397244
H -6.582432 1.627186 -1.247679
H -7.904066 1.285571 -0.071544
H -6.225394 1.488741 0.504143
H -8.540975 -0.745509 -1.287714
H -7.233679 -0.607558 -2.512477
H -7.366300 -2.077179 -1.479970
H 3.578121 2.302233 0.254215
H -0.760310 2.302153 0.635498
H -0.910186 -1.453508 0.631210
H 1.419561 3.528061 0.458323


