%chk=000064775.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064775

0 1
 O   -4.640900       2.186900     -0.7678000    
 N    1.459500     -0.1611000      0.7600000    
 N  -0.6699000      -1.068900       1.141400    
 N   0.6667000      -1.918400     -0.6245000    
 N   -3.640100       1.360400     -0.2816000    
 N   -1.229100      -3.499600      -1.028700    
 C    3.294200       1.234100     -0.1629000    
 C    2.674700     -0.1941000     -7.2499998E-02
 C    2.298400       2.273900     -0.7101000    
 C    3.753600       1.688100       1.239700    
 C    4.534000       1.218800      -1.080000    
 C    3.593100      -1.281400      0.4841000    
 C   0.5208000     -0.9848000      0.4556000    
 C   -1.616200     -0.3078000      0.7053000    
 C   -2.973200     -0.2740000       1.333200    
 C   -1.384000      0.5870000     -0.4729000    
 C   -3.886800      0.5504000      0.8030000    
 C   -2.402800       1.354400     -0.8835000    
 C  -0.3522000      -2.764000     -0.8377000    
 H    2.446900     -0.4271000      -1.118600    
 H    1.928000       1.977600      -1.697700    
 H    1.433600       2.390500     -4.8200000E-02
 H    2.766200       3.259800     -0.8117000    
 H    4.153900       2.708600       1.204200    
 H    2.925700       1.691400       1.956800    
 H    4.548900       1.051500       1.640500    
 H    4.282600      0.8368000      -2.075700    
 H    5.342000      0.6021000     -0.6741000    
 H    4.940300       2.229100      -1.208100    
 H    4.513600      -1.372400     -9.8800004E-02
 H    3.863100      -1.089500       1.527500    
 H    3.111600      -2.264700      0.4684000    
 H    1.530000      -2.014200      -1.142100    
 H   -3.179800     -0.9068000       2.186500    
 H  -0.4450000      0.6407000      -1.005800    
 H   -4.890200      0.6277000       1.205100    
 H   -2.310100       2.025700      -1.729400    
 H   -5.075100       1.614400      -1.423700    


%chk=000064775-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064775

0 1
O -4.637277 2.539975 1.292525
N 1.244650 -0.177570 -0.071612
N -0.896531 -1.306315 -0.317266
N 1.044260 -2.501787 -0.724450
N -3.655548 1.622397 0.764403
N -0.308638 -4.578288 -1.329857
C 3.296374 1.160484 -0.554331
C 2.725319 -0.244740 -0.129390
C 2.689105 1.527676 -1.934835
C 2.922712 2.254868 0.476896
C 4.839924 1.078905 -0.693779
C 3.258749 -0.767031 1.231591
C 0.491401 -1.223926 -0.337469
C -1.713194 -0.312825 0.061753
C -3.145301 -0.585882 0.006598
C -1.345313 1.019690 0.551452
C -4.082009 0.361147 0.365533
C -2.313036 1.939533 0.904312
C 0.295803 -3.582824 -1.041931
H 3.080528 -0.943826 -0.931871
H 2.958626 0.774633 -2.700956
H 1.587845 1.573685 -1.874251
H 3.065316 2.509618 -2.278255
H 3.251688 3.247289 0.115718
H 1.829634 2.282420 0.628105
H 3.404089 2.079628 1.456557
H 5.140529 0.252673 -1.367329
H 5.339100 0.929262 0.280481
H 5.230640 2.019455 -1.124978
H 4.359956 -0.841916 1.235748
H 2.946528 -0.095863 2.049693
H 2.847599 -1.768766 1.454675
H 2.060431 -2.583636 -0.788958
H -3.464561 -1.576619 -0.325140
H -0.282653 1.260069 0.627381
H -5.160905 0.198110 0.362820
H -2.100301 2.935939 1.297557
H -4.919537 3.105459 0.518061


