%chk=000063399.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063399

0 1
 O    4.677600      -1.453300      -1.891700    
 N  -0.2985000      -1.322900      0.8033000    
 N   -2.913400     -0.3896000      0.1324000    
 N    2.164600     -0.1481000      0.9458000    
 N    2.812800      -1.830500     -0.6135000    
 C  -0.5556000     -0.7140000     -0.5078000    
 C   -1.487700      -2.054900       1.255700    
 C   -1.729300      0.2656000     -0.4374000    
 C   -2.693300      -1.120600       1.384000    
 C   0.8585000      -2.214800      0.7363000    
 C   -4.167100      0.1734000     -0.1313000    
 C    2.026300      -1.359900      0.3105000    
 C   -4.638600      0.3078000      -1.452500    
 C   -4.996400      0.6223000      0.9160000    
 C    3.229900      0.6840000      0.5961000    
 C    4.125900      0.2565000     -0.3932000    
 C   -5.888700      0.8679000      -1.715900    
 C   -6.246500       1.182400      0.6526000    
 C    3.895900      -1.073500      -1.025300    
 C   -6.692700       1.305200     -0.6632000    
 C    3.423200       1.927400       1.203800    
 C    5.204800       1.059500     -0.7727000    
 C    4.500000       2.731500      0.8267000    
 C    5.388000       2.298400     -0.1585000    
 H  -0.7782000      -1.491000      -1.252500    
 H   0.2949000     -0.1427000     -0.8932000    
 H   -1.298500      -2.507500       2.236600    
 H   -1.728100      -2.870900      0.5607000    
 H   -1.462300       1.131700      0.1820000    
 H   -1.923400      0.6391000      -1.449500    
 H   -3.570400      -1.729300       1.636600    
 H   -2.524600     -0.4117000       2.204800    
 H    1.091400      -2.628500       1.724200    
 H   0.7118000      -3.042700      3.2499999E-02
 H   -4.034800     -3.7799999E-02  -2.288700    
 H   -4.677400      0.5545000       1.953000    
 H    1.518200      0.1614000       1.661700    
 H   -6.237400      0.9610000      -2.740200    
 H   -6.871700       1.525700       1.471700    
 H   -7.666000       1.741300     -0.8682000    
 H    2.739300       2.278100       1.972500    
 H    5.907000      0.7408000      -1.537500    
 H    4.647100       3.697300       1.301600    
 H    6.224300       2.928200     -0.4480000    


%chk=000063399-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063399

0 1
O 5.548619 -1.819021 -0.909488
N -0.274095 -1.356567 0.386052
N -2.977809 -0.372585 0.059064
N 2.103726 -0.139201 0.511456
N 3.278224 -2.050358 -0.358912
C -0.786211 -0.968104 -0.958498
C -1.387085 -1.889238 1.214031
C -1.881237 0.099405 -0.816612
C -2.498550 -0.836043 1.374074
C 0.903564 -2.256390 0.305386
C -4.263379 0.228924 -0.042184
C 2.191512 -1.458687 0.113705
C -4.814477 0.556096 -1.318629
C -5.062813 0.488351 1.111381
C 3.213179 0.713023 0.433731
C 4.429295 0.151565 -0.061021
C -6.102822 1.113881 -1.429754
C -6.357998 1.036312 0.986279
C 4.486184 -1.289806 -0.473094
C -6.892034 1.358029 -0.280486
C 3.145152 2.075073 0.824322
C 5.575339 0.980253 -0.156316
C 4.297049 2.875266 0.719708
C 5.515542 2.331467 0.229187
H -1.196304 -1.855620 -1.495511
H 0.049568 -0.560765 -1.556517
H -0.994419 -2.154087 2.212805
H -1.825907 -2.807428 0.755891
H -1.425142 1.028535 -0.398844
H -2.273456 0.344741 -1.814846
H -3.334875 -1.305635 1.919602
H -2.113423 0.009804 1.992640
H 0.992185 -2.818536 1.254660
H 0.841712 -3.007794 -0.509593
H -4.251223 0.345204 -2.233576
H -4.674913 0.287139 2.114139
H 1.159744 0.148057 0.821593
H -6.498767 1.345719 -2.425320
H -6.945937 1.224407 1.892302
H -7.895070 1.786918 -0.372621
H 2.205959 2.493425 1.204179
H 6.495935 0.526576 -0.538057
H 4.252308 3.927798 1.020364
H 6.404050 2.966699 0.153629


