%chk=000055763.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055763

0 1
 O    3.157900     -0.2177000     -0.4436000    
 O    2.251100      -1.764300       1.013300    
 N   -1.360900       1.679800     -0.4236000    
 N  -0.1924000     -0.8085000      0.6791000    
 C  -0.3854000       2.047500      0.5915000    
 C   0.9607000       1.359500      0.3460000    
 C   0.8557000     -0.1138000     -4.6300001E-02
 C   -2.050300      0.4688000     -0.3443000    
 C   -1.524200     -0.6897000      0.2747000    
 C  -0.2155000       3.567000      0.6012000    
 C    2.147300     -0.8107000      0.2536000    
 C   -3.369200      0.4327000     -0.8388000    
 C   -2.357000      -1.816600      0.4243000    
 C   -4.168800     -0.7005000     -0.6982000    
 C   -3.665700      -1.822800     -5.5300001E-02
 C    4.456200     -0.7874000     -0.2487000    
 C    5.460600     -2.3300000E-02  -1.084900    
 H  -0.7643000       1.764700       1.583000    
 H    1.574500       1.475300       1.250100    
 H    1.506900       1.885300     -0.4494000    
 H   0.6833000     -0.2211000      -1.125900    
 H   -1.749000       2.406900      -1.014800    
 H   5.2900001E-02  -1.609400       1.251400    
 H   -1.169500       4.062000      0.8139000    
 H   0.5036000       3.874300       1.367700    
 H   0.1380000       3.936500     -0.3680000    
 H   -3.794500       1.311900      -1.319900    
 H   -1.973300      -2.718000      0.8989000    
 H   -5.185500     -0.6995000      -1.079200    
 H   -4.284300      -2.707300      6.3199997E-02
 H    4.728900     -0.7201000      0.8105000    
 H    4.443300      -1.839400     -0.5550000    
 H    6.466600     -0.4331000     -0.9591000    
 H    5.191000     -6.6299997E-02  -2.145300    
 H    5.471500       1.034500     -0.8024000    


%chk=000055763-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055763

0 1
O 3.214094 -0.218616 -0.443669
O 2.286702 -1.848804 0.938824
N -1.300778 1.638561 -0.501360
N -0.211763 -0.745067 0.750776
C -0.402083 2.093941 0.590193
C 1.001750 1.439770 0.471096
C 0.859443 -0.045989 0.028993
C -2.079466 0.456971 -0.364046
C -1.546230 -0.711389 0.283194
C -0.297295 3.630376 0.563237
C 2.163208 -0.813667 0.238673
C -3.403269 0.412223 -0.871652
C -2.387641 -1.841385 0.454794
C -4.217544 -0.732404 -0.721493
C -3.713595 -1.857366 -0.030885
C 4.552002 -0.882319 -0.307916
C 5.538567 -0.046732 -1.115514
H -0.838066 1.782732 1.561554
H 1.511026 1.501803 1.452137
H 1.622389 1.974694 -0.271436
H 0.649585 -0.041362 -1.060990
H -1.757932 2.388787 -1.024341
H 0.093656 -1.598061 1.229698
H -1.274036 4.104289 0.772358
H 0.421416 3.982506 1.323894
H 0.060631 3.978423 -0.425053
H -3.805501 1.304651 -1.369869
H -1.977867 -2.729307 0.953334
H -5.236961 -0.733817 -1.121860
H -4.335429 -2.747486 0.112781
H 4.807593 -0.926318 0.766044
H 4.461045 -1.917055 -0.684432
H 6.547462 -0.492948 -1.048314
H 5.245983 -0.008470 -2.178581
H 5.589105 0.986036 -0.730468


