%chk=000063577.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063577

0 1
 O   -3.026400      -1.864500      -1.102100    
 O    1.122500     -6.8400003E-02   1.992600    
 N   0.8154000      0.9719000     -7.1000002E-02
 N   -1.424600      0.2708000     -0.2112000    
 N    2.576100       1.050500      -1.667000    
 C  -0.5604000       1.338200      0.2273000    
 C    2.936400     -5.4900002E-02  0.4982000    
 C    1.546800      0.2721000      0.8924000    
 C    3.392000      0.3480000     -0.7644000    
 C   -2.800200      0.2779000     -4.4300001E-02
 C    1.369700       1.318900      -1.289600    
 C    3.774600     -0.7532000       1.373600    
 C   -3.601500     -0.7912000     -0.4898000    
 C    4.704900      3.9400000E-02  -1.137200    
 C   -3.434600       1.366900      0.5833000    
 C    5.079900      -1.052800      0.9864000    
 C    5.544800     -0.6575000     -0.2665000    
 C   -4.985200     -0.7714000     -0.3142000    
 C   -4.818200       1.386800      0.7590000    
 C   -5.593400      0.3175000      0.3102000    
 C   -2.618500      -2.945100     -0.2658000    
 H  -0.6599000       1.504500       1.305800    
 H  -0.7995000       2.266900     -0.3036000    
 H   -1.004800     -0.5219000     -0.6828000    
 H   0.6877000       1.864300      -1.960400    
 H    3.430700      -1.069800       2.354200    
 H    5.082800      0.3408000      -2.111300    
 H   -2.872300       2.222600      0.9476000    
 H    5.735300      -1.594800       1.661900    
 H    6.562200     -0.8917000     -0.5666000    
 H   -5.595800      -1.600300     -0.6618000    
 H   -5.292500       2.234500       1.244700    
 H   -6.670800      0.3330000      0.4467000    
 H   -3.485300      -3.389900      0.2331000    
 H   -1.889700      -2.608600      0.4784000    
 H   -2.148900      -3.706200     -0.8948000    


%chk=000063577-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063577

0 1
O -3.647743 -2.307116 0.049020
O 1.984633 0.388182 2.721841
N 0.906646 -0.380044 0.793057
N -1.440035 -1.161034 0.942091
N 1.933302 -0.399630 -1.389030
C -0.296007 -0.701540 1.670402
C 3.179509 0.463525 0.587979
C 2.031850 0.181001 1.468347
C 3.092591 0.160853 -0.812047
C -2.397019 -0.308412 0.359609
C 0.916725 -0.637550 -0.575697
C 4.366752 1.027673 1.124691
C -3.602167 -0.905660 -0.128623
C 4.209418 0.433950 -1.650544
C -2.231563 1.090607 0.225673
C 5.459523 1.291793 0.283594
C 5.377349 0.992697 -1.107151
C -4.611922 -0.124301 -0.718418
C -3.250580 1.877909 -0.361871
C -4.436106 1.278443 -0.832708
C -4.849316 -3.007508 -0.404429
H 0.034898 -1.466585 2.392848
H -0.505777 0.217999 2.245935
H -1.688146 -2.150361 0.963414
H -0.004647 -1.068685 -0.975888
H 4.398288 1.244989 2.197507
H 4.122438 0.196098 -2.714922
H -1.307017 1.568021 0.566782
H 6.376318 1.727893 0.694205
H 6.233770 1.201071 -1.758010
H -5.531841 -0.588094 -1.087399
H -3.105668 2.959146 -0.456459
H -5.221599 1.887047 -1.291945
H -4.993261 -2.886365 -1.495326
H -5.747240 -2.644920 0.132066
H -4.677056 -4.067791 -0.167596


