%chk=000059272.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059272

0 1
 O   0.7349000      -1.183600      0.4339000    
 O  -0.2827000      -1.338000       2.492900    
 N    3.484500      -1.543800     -0.2745000    
 N   -5.162500     -0.7303000      -1.612600    
 C    2.852700     -0.2257000     -0.3234000    
 C    1.668300     -0.1261000      0.6559000    
 C    2.383100      7.5099997E-02  -1.749700    
 C    1.859600       1.509300      -1.843200    
 C   0.9004000       1.165100      0.4932000    
 C   0.9590000       1.909100     -0.7006000    
 C   7.1400002E-02   1.605600       1.537800    
 C   0.2078000       3.089400     -0.8137000    
 C    3.937500      -1.842800       1.083200    
 C    4.603800      -1.608600      -1.213300    
 C  -0.6759000       2.775700       1.408500    
 C  -0.6070000       3.517800      0.2336000    
 C  -0.3275000      -1.218200       1.278300    
 C   -1.596900      -1.089600      0.5191000    
 C   -2.681800     -0.4946000       1.129600    
 C   -1.652500      -1.569700     -0.7734000    
 C   -3.874600     -0.3745000      0.4166000    
 C   -2.845300      -1.449600      -1.486600    
 C   -3.956400     -0.8518000     -0.8917000    
 H    3.588300      0.5447000     -4.3699998E-02
 H    2.037400     -0.1693000       1.688900    
 H    1.593700     -0.6272000      -2.048700    
 H    3.176400       0.000000      -2.499000    
 H    1.325600       1.626900      -2.794000    
 H    2.711700       2.201000      -1.855800    
 H   3.9400000E-02   1.089600       2.492300    
 H   0.2575000       3.684200      -1.722800    
 H    3.101100      -2.018500       1.766500    
 H    4.579200      -1.054700       1.493900    
 H    4.509900      -2.778300       1.098900    
 H    5.194600      -2.517500      -1.043100    
 H    5.285200     -0.7550000      -1.120600    
 H    4.265800      -1.699000      -2.250000    
 H   -1.300300       3.114800       2.229900    
 H   -1.183200       4.432900      0.1338000    
 H   -2.631400     -0.1187000       2.147100    
 H  -0.8064000      -2.050500      -1.255100    
 H   -4.733200      9.3500003E-02  0.8912000    
 H   -2.897300      -1.827900      -2.504400    
 H   -5.222100      -1.075600      -2.561200    
 H   -5.968100     -0.2964000      -1.182000    


%chk=000059272-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059272

0 1
O 0.234396 -0.146389 -0.018413
O -0.485059 -0.539166 2.175120
N 2.791741 -1.511761 -0.402447
N -5.413884 -2.859156 -1.384235
C 2.662185 -0.028893 -0.384843
C 1.508449 0.469114 0.510383
C 2.457461 0.565648 -1.799993
C 2.599666 2.102858 -1.762068
C 1.356044 1.982811 0.478773
C 1.836729 2.754190 -0.614337
C 0.692830 2.622934 1.557453
C 1.630839 4.156477 -0.602940
C 2.699344 -2.146036 0.932760
C 4.022386 -1.956752 -1.093024
C 0.494710 4.018484 1.557143
C 0.965431 4.789722 0.467603
C -0.687219 -0.612679 0.929615
C -1.893541 -1.187552 0.296429
C -2.944794 -1.654189 1.132238
C -2.040926 -1.294515 -1.113582
C -4.110269 -2.206548 0.584037
C -3.202096 -1.847210 -1.672946
C -4.259973 -2.312488 -0.832995
H 3.593134 0.432201 0.055698
H 1.612899 0.132039 1.555263
H 1.450885 0.272073 -2.147638
H 3.190849 0.156514 -2.515158
H 2.269129 2.537515 -2.724935
H 3.674656 2.364512 -1.661156
H 0.324651 2.010690 2.389088
H 1.998416 4.756366 -1.445432
H 1.707767 -1.985150 1.383726
H 3.476079 -1.782584 1.654154
H 2.833073 -3.235844 0.814795
H 4.058139 -3.060360 -1.091063
H 4.959861 -1.580400 -0.606129
H 4.029127 -1.628859 -2.145044
H -0.020615 4.501369 2.394632
H 0.814404 5.875239 0.454360
H -2.821813 -1.570823 2.217334
H -1.230546 -0.942238 -1.757511
H -4.913819 -2.559896 1.241569
H -3.302467 -1.926202 -2.762338
H -5.525723 -2.934908 -2.391263
H -6.168837 -3.190958 -0.790682


