%chk=000159285.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159285

0 1
 O    2.457300      0.2363000      0.9822000    
 O    1.433400      -2.544800      -1.030800    
 O    4.495200       2.089400      0.4491000    
 O   -4.973900     -0.7113000      0.2136000    
 N   0.2446000      0.1799000      0.1368000    
 N  -0.9892000       1.946500     -0.4685000    
 N   -1.483800      -1.464700      0.5865000    
 N   -3.615800     -0.4574000      0.1859000    
 N   -3.923200       1.848100     -0.5512000    
 C    1.434700     -0.6137000      0.4333000    
 C    2.043400      -1.293700     -0.7828000    
 C    3.484200      -1.444900     -0.3500000    
 C    3.732500     -0.1796000      0.4565000    
 C    4.308300      0.9536000     -0.3806000    
 C   -1.055800     -0.2259000      0.2131000    
 C   0.2323000       1.489400     -0.2765000    
 C   -1.794000      0.8857000     -0.1658000    
 C   -3.239800      0.8165000     -0.2001000    
 C   -2.790400      -1.509400      0.5493000    
 H    1.153400      -1.336600       1.208900    
 H    1.976700     -0.6743000      -1.684900    
 H    3.589500      -2.328500      0.2925000    
 H    4.173800      -1.581500      -1.188700    
 H    4.392400     -0.3762000       1.308800    
 H    3.634500       1.243800      -1.193200    
 H    5.276400      0.6769000     -0.8084000    
 H    1.139000       2.059700     -0.4264000    
 H   0.4968000      -2.379900      -1.233000    
 H    3.629400       2.321300      0.8266000    
 H   -3.330200      -2.431900      0.8186000    
 H   -4.921300       1.613200     -0.5161000    
 H   -5.209900     -0.4501000       1.120400    


%chk=000159285-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159285

0 1
O 2.725778 0.468500 0.954691
O 1.184228 -2.707217 -0.058395
O 4.444297 2.113481 -0.618869
O -4.765407 -0.841449 -0.730616
N 0.358306 0.420361 0.661228
N -1.051238 2.225508 0.672411
N -1.225776 -1.365389 -0.038346
N -3.431438 -0.504285 -0.292922
N -4.038141 1.891554 -0.217592
C 1.562747 -0.412780 0.882225
C 1.831095 -1.433260 -0.266944
C 3.364000 -1.574155 -0.202716
C 3.858353 -0.160340 0.159086
C 4.138513 0.749906 -1.046187
C -0.903210 -0.051426 0.295080
C 0.209149 1.795473 0.890177
C -1.758255 1.077250 0.304145
C -3.161177 0.942457 -0.081730
C -2.510795 -1.536412 -0.332022
H 1.445819 -0.962227 1.838812
H 1.518814 -0.964336 -1.225754
H 3.610802 -2.301862 0.589405
H 3.781576 -1.939851 -1.155436
H 4.727412 -0.151774 0.838524
H 3.276603 0.730558 -1.748490
H 5.039800 0.400507 -1.579058
H 1.040999 2.414137 1.211445
H 0.188304 -2.516425 -0.091576
H 3.712677 2.406877 -0.015993
H -2.898099 -2.516678 -0.618064
H -4.965171 1.569482 -0.556993
H -5.310065 -0.910286 0.105571


