%chk=000031999.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031999

0 1
 O    5.999000      0.1772000     -7.6600000E-02
 N   0.5360000     -0.5297000      0.5939000    
 N   0.1904000     -0.6076000      -1.779500    
 C   -2.581100      0.2427000     -8.7600000E-02
 C   -1.688300     -0.8351000     -0.2040000    
 C   -3.950800     -1.6600000E-02  0.1569000    
 C   -2.139300      -2.149600     -8.1100002E-02
 C   -2.144700       1.572000     -0.2085000    
 C   -4.387200      -1.346000      0.2778000    
 C  -0.2618000     -0.6482000     -0.4556000    
 C   -4.843700       1.061200      0.2734000    
 C   -3.486200      -2.404600      0.1594000    
 C   -3.045700       2.630700     -9.0000004E-02
 C   -4.392500       2.375700      0.1505000    
 C    1.919000     -0.3507000      0.4249000    
 C    2.442500      0.9351000      0.3259000    
 C    2.756400      -1.460100      0.3572000    
 C    4.659300      4.0000002E-03  8.9299999E-02
 C    3.815800       1.112800      0.1578000    
 C    4.129600      -1.282400      0.1890000    
 C    6.473300       1.519400     -0.1731000    
 H   -1.449700      -2.985400     -0.1707000    
 H   -1.101900       1.816400     -0.3963000    
 H   -5.435500      -1.568800      0.4658000    
 H   -5.900800      0.8855000      0.4613000    
 H   -3.836800      -3.428100      0.2550000    
 H   -2.695400       3.654300     -0.1855000    
 H   -5.093400       3.200300      0.2427000    
 H    1.791300       1.803600      0.3784000    
 H    2.351900      -2.465800      0.4339000    
 H    1.169300     -0.4810000      -2.010400    
 H  -0.4552000     -0.7023000      -2.556900    
 H    4.160000       2.138900      8.7200001E-02
 H    4.781600      -2.150000      0.1359000    
 H    7.559500       1.469900     -0.3022000    
 H    6.286300       2.079500      0.7495000    
 H    6.069200       2.026500      -1.055800    


%chk=000031999-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031999

0 1
O 6.248367 0.031220 -0.558497
N 0.697871 -0.349877 0.593014
N -0.091740 0.278522 -1.592772
C -2.825832 0.315699 -0.204527
C -1.677865 -0.503504 0.127077
C -4.147353 -0.165465 0.164018
C -1.856705 -1.691245 0.851296
C -2.731818 1.610656 -0.825633
C -4.282975 -1.406237 0.868472
C -0.271220 -0.170639 -0.283642
C -5.301759 0.623681 -0.157509
C -3.154824 -2.145765 1.225419
C -3.875132 2.360730 -1.112580
C -5.175495 1.859199 -0.792899
C 2.072863 -0.206469 0.251633
C 2.899576 0.604029 1.072968
C 2.692741 -0.931548 -0.814428
C 4.879242 0.000976 -0.230854
C 4.286413 0.721488 0.835807
C 4.076415 -0.834497 -1.046566
C 7.117978 0.856985 0.279062
H -0.966482 -2.266885 1.122348
H -1.744512 2.028928 -1.042389
H -5.287622 -1.756255 1.134249
H -6.291312 0.240586 0.119610
H -3.258594 -3.083474 1.781374
H -3.775714 3.349097 -1.575103
H -6.063412 2.454995 -1.030388
H 2.434743 1.136195 1.909175
H 2.089435 -1.607611 -1.431689
H 0.844684 0.510224 -1.922498
H -0.866807 0.298537 -2.250737
H 4.886989 1.361226 1.489723
H 4.558255 -1.402518 -1.848792
H 8.126226 0.736289 -0.144116
H 7.112287 0.511869 1.331853
H 6.823488 1.924557 0.240421


