%chk=000113873.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113873

0 1
 O   0.8564000      -4.132000      0.4288000    
 O   -1.346700      -2.419900      0.1592000    
 O   -6.444600       1.145200      -1.042000    
 N    5.573400       1.356200      8.3300002E-02
 N    2.672400     -0.9672000     -0.2009000    
 C    4.238500      0.9089000     -0.2992000    
 C    4.011600     -0.5266000      0.1653000    
 C    2.433500      -2.333400      0.2443000    
 C    1.012200      -2.802500     -7.5499997E-02
 C    6.595300      0.4894000     -0.5058000    
 C    5.787700       2.745100     -0.3259000    
 C  -6.9600001E-02  -1.918500      0.5414000    
 C    7.988300      0.9040000     -6.3199997E-02
 C    4.736700       3.662900      0.2752000    
 C   -2.362000      -1.506400      6.1299998E-02
 C   -2.351400     -0.3747000      0.8694000    
 C   -3.395700      -1.719800     -0.8443000    
 C   -4.426600      0.3469000     -0.1353000    
 C   -3.386900      0.5548000      0.7709000    
 C   -4.431000     -0.7903000     -0.9430000    
 C   -5.506300       1.316300     -0.2370000    
 C   -5.499800       2.570000      0.6557000    
 C   -6.685700       3.491600      0.4174000    
 H    4.089900      0.9860000      -1.384900    
 H    3.463500       1.514000      0.1840000    
 H    4.702700      -1.224800     -0.3136000    
 H    4.148100     -0.5903000       1.252000    
 H    3.148400      -3.022100     -0.2244000    
 H    2.594700      -2.415500       1.327300    
 H   0.8604000      -2.856400      -1.160600    
 H    2.547500     -0.9064000      -1.211000    
 H    6.504100     -0.5390000     -0.1485000    
 H    6.540300      0.4705000      -1.601300    
 H    5.791200       2.855300      -1.417600    
 H    6.749200       3.112700      4.7300000E-02
 H   7.4400000E-02 -0.8908000      0.1873000    
 H  -1.4000000E-03  -1.950200       1.635400    
 H    8.333400       1.813300     -0.5649000    
 H    8.043500       1.052200       1.020800    
 H    8.705700      0.1164000     -0.3211000    
 H    3.768300       3.577600     -0.2274000    
 H    4.602000       3.482200       1.347300    
 H    5.053600       4.705800      0.1596000    
 H    1.523100      -4.690500     -6.0999999E-03
 H   -1.577600     -0.1906000       1.608400    
 H   -3.402800      -2.604400      -1.474900    
 H   -3.345700       1.420600       1.424100    
 H   -5.229600     -0.9751000      -1.656600    
 H   -4.581300       3.133300      0.4578000    
 H   -5.514300       2.250500       1.703400    
 H   -7.630100       2.973900      0.6149000    
 H   -6.629100       4.364400       1.075000    
 H   -6.706300       3.843700     -0.6192000    


%chk=000113873-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000113873

0 1
O 0.637774 -3.986910 1.013375
O -1.134149 -1.939798 -0.393025
O -6.760244 1.076442 -1.102169
N 5.779826 1.274826 -0.289494
N 2.907506 -1.210438 -0.179994
C 4.470606 0.663406 -0.623939
C 4.172304 -0.571693 0.250501
C 2.459138 -2.348099 0.642701
C 1.035033 -2.800740 0.236603
C 6.916297 0.601251 -0.976070
C 5.794859 2.753516 -0.456376
C -0.000170 -1.722951 0.528804
C 8.251711 0.750083 -0.222251
C 5.045813 3.491029 0.669706
C -2.236637 -1.095041 -0.287385
C -2.347833 -0.029770 0.644764
C -3.296746 -1.356456 -1.198114
C -4.582387 0.514626 -0.246461
C -3.514827 0.760382 0.656622
C -4.447834 -0.560477 -1.174455
C -5.838538 1.328714 -0.267139
C -5.992268 2.475821 0.742465
C -7.332145 3.219815 0.613161
H 4.413090 0.376097 -1.706770
H 3.666047 1.400337 -0.456905
H 5.043171 -1.272127 0.224237
H 4.063554 -0.242032 1.300034
H 3.136831 -3.238520 0.585512
H 2.447588 -2.032102 1.703936
H 1.012646 -3.020455 -0.853857
H 2.928341 -1.446845 -1.182806
H 6.673825 -0.475584 -1.048514
H 7.031411 0.969440 -2.027900
H 5.378337 3.056315 -1.450862
H 6.850290 3.080963 -0.447489
H 0.447412 -0.727053 0.346671
H -0.340878 -1.818428 1.578021
H 8.563012 1.806866 -0.136481
H 8.158095 0.340743 0.798649
H 9.057279 0.207383 -0.751613
H 3.976721 3.212951 0.704806
H 5.493752 3.244005 1.647882
H 5.101328 4.585448 0.518958
H 1.171348 -4.768237 0.720780
H -1.542208 0.186381 1.351874
H -3.186561 -2.186171 -1.902795
H -3.583484 1.576702 1.383482
H -5.275564 -0.745356 -1.867038
H -5.144998 3.179185 0.606338
H -5.876560 2.061698 1.765214
H -8.180504 2.531848 0.768866
H -7.397284 4.036121 1.355108
H -7.447622 3.649188 -0.396569


