%chk=000042473.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042473

0 1
 O    1.332100       1.854000      -1.001300    
 O  -0.9764000     -0.2312000       2.427200    
 O    2.463700      -2.438500      0.3686000    
 N    1.839800     -0.3610000     -0.4956000    
 N   0.7059000      -1.342000       1.332700    
 C  -0.3048000      0.5976000      0.2515000    
 C   -1.276300     -3.9200000E-02 -0.7587000    
 C  -0.8606000       1.961900      0.6897000    
 C   -2.687100     -0.2189000     -0.1754000    
 C    1.033000      0.7878000     -0.4608000    
 C  -0.2286000     -0.3272000       1.455200    
 C   -1.337600      0.8236000      -2.018600    
 C   -3.660800     -0.9139000      -1.130200    
 C   4.5000002E-02   2.611900       1.711300    
 C    1.716400      -1.456800      0.3805000    
 C    2.986100     -0.3557000      -1.396600    
 C   -5.016000      -1.135400     -0.4754000    
 C    4.226400      0.1829000     -0.7039000    
 H  -0.9049000      -1.030000      -1.055200    
 H   -1.844900       1.884000       1.161200    
 H  -0.9602000       2.661800     -0.1464000    
 H   -3.136600      0.7443000      8.6000003E-02
 H   -2.651000     -0.8191000      0.7388000    
 H   -1.906200      0.3070000      -2.800200    
 H  -0.3650000       1.003800      -2.481400    
 H   -1.838500       1.783000      -1.860700    
 H   -3.249900      -1.879800      -1.445500    
 H   -3.820500     -0.3131000      -2.030900    
 H   0.1274000       2.035700       2.637000    
 H    1.055900       2.789100       1.334200    
 H  -0.3633000       3.590800       1.988100    
 H   0.6892000      -2.058000       2.053700    
 H    3.176800      -1.375500      -1.749300    
 H    2.758900      0.2595000      -2.274500    
 H   -4.924300      -1.767600      0.4136000    
 H   -5.468200     -0.1844000     -0.1762000    
 H   -5.697800      -1.630600      -1.174000    
 H    4.069900       1.207900     -0.3519000    
 H    4.496200     -0.4285000      0.1633000    
 H    5.075200      0.1860000      -1.394700    


%chk=000042473-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042473

0 1
O 1.363184 1.879271 -0.999688
O -1.029287 -0.416248 2.409439
O 2.458041 -2.496872 0.181605
N 1.850445 -0.343538 -0.539134
N 0.663271 -1.437672 1.215123
C -0.328168 0.643549 0.286031
C -1.351885 0.032051 -0.812695
C -0.815712 2.010083 0.837378
C -2.807475 -0.043437 -0.269948
C 1.024244 0.807340 -0.432544
C -0.266104 -0.399171 1.408209
C -1.299600 0.800429 -2.155212
C -3.659552 -1.116340 -0.991497
C 0.122565 2.638105 1.890854
C 1.699530 -1.495601 0.262644
C 3.046965 -0.285012 -1.430359
C -5.113104 -1.152772 -0.472377
C 4.294491 0.246014 -0.700284
H -1.009912 -1.008242 -1.003418
H -1.811295 1.857803 1.287243
H -0.924222 2.704635 -0.013567
H -3.294630 0.945256 -0.388528
H -2.809645 -0.270460 0.812927
H -2.073419 0.399435 -2.833634
H -0.326212 0.704141 -2.665120
H -1.498642 1.877330 -2.015552
H -3.189892 -2.110642 -0.845212
H -3.666015 -0.931157 -2.084085
H 0.229219 1.983799 2.774502
H 1.122302 2.843304 1.469837
H -0.293520 3.599948 2.240729
H 0.635593 -2.220473 1.876682
H 3.219209 -1.308165 -1.801604
H 2.781247 0.376046 -2.271040
H -5.140893 -1.362887 0.613164
H -5.618928 -0.183065 -0.639000
H -5.703735 -1.934328 -0.984185
H 4.120971 1.267024 -0.320576
H 4.571602 -0.413880 0.139863
H 5.147367 0.280595 -1.401773


