%chk=000116099.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116099

0 1
 O    2.800800     -0.5869000     -4.2199999E-02
 O    2.733600       1.660600      0.3709000    
 N   -2.043700      0.3770000     -0.2384000    
 N   0.8104000      0.5418000     -0.2986000    
 C   -1.225900     -0.8238000     -9.6000005E-03
 C   -1.356500       1.572900      0.2718000    
 C   0.1359000     -0.6965000     -0.6939000    
 C  -3.9999999E-04   1.751400     -0.4102000    
 C   -3.356000      0.2316000      0.3902000    
 C   -4.105600     -0.9522000     -0.2156000    
 C    2.163700      0.6230000      3.8400002E-02
 C   -5.484000      -1.112200      0.4069000    
 C    4.194900     -0.5893000      0.2861000    
 C    4.732500      -1.997400      0.1442000    
 H   -1.675400      -1.722200     -0.4392000    
 H   -1.083100     -0.9978000       1.065200    
 H   -1.213500       1.501000       1.358300    
 H   -1.961100       2.466700      7.6700002E-02
 H   0.7476000      -1.571600     -0.4559000    
 H   1.8800000E-02 -0.6644000      -1.784100    
 H  -0.1318000       1.954600      -1.480100    
 H   0.5254000       2.608500      2.2900000E-02
 H   -3.264300      0.1036000       1.476800    
 H   -3.946600       1.140400      0.2192000    
 H   -4.211200     -0.8230000      -1.299400    
 H   -3.594700      -1.903200     -4.3000001E-02
 H   -5.410800      -1.286800       1.485100    
 H   -6.093700     -0.2177000      0.2441000    
 H   -6.006600      -1.963700     -4.0300000E-02
 H    4.730900      8.1799999E-02 -0.3943000    
 H    4.327300     -0.2449000       1.317700    
 H    5.797800      -2.035900      0.3881000    
 H    4.193100      -2.684000      0.8050000    
 H    4.590100      -2.362800     -0.8781000    


%chk=000116099-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116099

0 1
O 2.828550 -0.591822 -0.062958
O 2.741251 1.737008 0.261397
N -2.009395 0.267859 -0.158417
N 0.840475 0.525957 -0.401067
C -1.127253 -0.914015 0.015319
C -1.316563 1.496134 0.312683
C 0.182173 -0.739046 -0.779603
C -0.017893 1.722946 -0.482859
C -3.342283 0.100629 0.475363
C -4.239326 -0.932540 -0.238464
C 2.166116 0.655524 -0.046769
C -5.657003 -0.979490 0.371952
C 4.267066 -0.533922 0.316480
C 4.802822 -1.958875 0.209831
H -1.645344 -1.814427 -0.357793
H -0.880262 -1.081102 1.096260
H -1.069392 1.439293 1.404060
H -1.988246 2.361178 0.160287
H 0.870948 -1.573642 -0.585891
H -0.058582 -0.714773 -1.862140
H -0.273221 1.919290 -1.543843
H 0.547907 2.580884 -0.085797
H -3.252351 -0.174668 1.559731
H -3.849549 1.084978 0.439051
H -4.290300 -0.666651 -1.311338
H -3.788057 -1.942099 -0.179692
H -5.622492 -1.247804 1.444986
H -6.161146 0.001683 0.286617
H -6.287433 -1.727482 -0.141820
H 4.785768 0.163241 -0.366174
H 4.346900 -0.129599 1.342009
H 5.874038 -1.976600 0.482170
H 4.260236 -2.636984 0.891020
H 4.699742 -2.342464 -0.819892


