%chk=000060352.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060352

0 1
 O    3.184500      -1.358800     -0.3154000    
 O  -0.3013000      -1.191600      -1.386400    
 N    3.005100       1.537700     -0.5279000    
 N   -1.264800     -0.5086000      0.6486000    
 N    1.266200      -4.071400      0.3908000    
 C    2.298800      0.7496000      0.3029000    
 C   0.9808000      -1.458600      0.6285000    
 C    2.246600     -0.7196000      0.1683000    
 C    1.669500       1.483800       1.245700    
 C    2.838100       2.836600     -0.1236000    
 C    2.011900       2.832400      0.9786000    
 C  -0.2555000      -1.040400     -0.1682000    
 C    3.808700       1.126700      -1.658100    
 C   -2.518600     -2.9300001E-02  0.2678000    
 C   -3.397500      0.4666000       1.230800    
 C   -2.892900     -4.5000002E-02  -1.075900    
 C    1.142500      -2.922000      0.4931000    
 C   -4.650800      0.9463000      0.8503000    
 C   -4.146200      0.4349000      -1.456400    
 C   -5.025100      0.9306000     -0.4932000    
 H   0.8500000      -1.242700       1.695400    
 H    1.037900       1.132000       2.049000    
 H    3.316500       3.654800     -0.6452000    
 H    1.692700       3.705700       1.529800    
 H    4.693100      0.6059000      -1.283300    
 H    3.208700      0.4779000      -2.301200    
 H    4.115700       2.010100      -2.224700    
 H   -1.073000     -0.4581000       1.646500    
 H   -3.119000      0.4854000       2.281400    
 H   -2.269100     -0.4107000      -1.879200    
 H   -5.335200       1.332500       1.600100    
 H   -4.438900      0.4235000      -2.502400    
 H   -6.000800       1.304200     -0.7896000    


%chk=000060352-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060352

0 1
O 1.080216 -0.688861 -0.318113
O -1.543000 1.915713 1.770383
N 3.468508 0.904677 -0.944811
N -1.498547 -0.086512 0.514655
N 0.795624 -1.304718 3.448030
C 2.588032 1.133909 0.142917
C 0.565930 0.656516 1.654618
C 1.430763 0.308427 0.406854
C 3.082279 2.272829 0.844899
C 4.462749 1.859535 -0.915366
C 4.250099 2.723453 0.182481
C -0.954289 0.899897 1.304521
C 3.371334 -0.169324 -1.952275
C -2.840640 -0.202770 0.050214
C -3.135539 -1.303218 -0.799064
C -3.866121 0.714240 0.403209
C 0.692846 -0.428441 2.644341
C -4.442895 -1.486840 -1.290956
C -5.170753 0.514542 -0.097962
C -5.470258 -0.578222 -0.943312
H 0.897573 1.595792 2.121933
H 2.638330 2.719089 1.732996
H 5.253229 1.867931 -1.664311
H 4.875397 3.570882 0.454799
H 3.386009 -1.157263 -1.466836
H 2.429788 -0.087155 -2.517228
H 4.227752 -0.078773 -2.640059
H -0.814290 -0.774924 0.154685
H -2.342266 -2.011923 -1.067621
H -3.633969 1.559668 1.053544
H -4.659119 -2.339739 -1.943589
H -5.959359 1.223507 0.177966
H -6.486815 -0.721526 -1.324640


