%chk=000060817.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060817

0 1
 O   -3.928200      -1.192500       1.290500    
 N   -1.355200      -2.209600      0.1835000    
 N   -1.240900       1.158500     -0.6845000    
 N   -3.340700      0.8860000      0.4831000    
 N   -2.648200       2.952100     -0.3782000    
 N    4.179400     -0.6197000      0.8131000    
 C   0.1206000     -0.9250000     -0.9003000    
 C  -0.9820000     -0.1483000     -0.5070000    
 C    1.318500     -0.4780000      -1.635800    
 C   -1.881700     -0.9453000      0.1568000    
 C  -0.1368000      -2.207400     -0.4570000    
 C    2.343200     -3.9600000E-02 -0.6087000    
 C   -3.131300     -0.4726000      0.6998000    
 C   -2.448900       1.610200     -0.1593000    
 C    2.372200       1.267700     -0.1798000    
 C    3.241700     -0.9449000     -0.1049000    
 C    3.322700       1.640600      0.7640000    
 C    4.195500      0.6680000       1.224700    
 H    1.087200      0.3472000      -2.320000    
 H    1.726900      -1.284000      -2.258100    
 H   0.4347000      -3.121800     -0.5378000    
 H   -1.789600      -3.018700      0.6060000    
 H  -0.6226000       1.798700      -1.171800    
 H    1.679900       2.010000     -0.5634000    
 H    3.252400      -1.983700     -0.4173000    
 H    3.379600       2.660600       1.126500    
 H   -1.964300       3.515400     -0.8716000    
 H   -3.487100       3.417800     -4.9899999E-02
 H    4.955600      0.9078000       1.960800    


%chk=000060817-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060817

0 1
O -4.322048 -1.342625 0.567195
N -1.773171 -2.470575 -0.629462
N -0.928141 0.955234 -0.116874
N -3.216560 0.750409 0.664673
N -2.106713 2.800284 0.788549
N 3.041209 0.570079 1.699955
C 0.112218 -1.246172 -1.034661
C -0.899992 -0.404339 -0.459105
C 1.485221 -0.845561 -1.528770
C -2.053813 -1.171535 -0.217647
C -0.474181 -2.526267 -1.117069
C 2.273027 0.061365 -0.584039
C -3.285934 -0.635429 0.359017
C -2.109321 1.459807 0.445160
C 3.012251 1.168543 -1.072565
C 2.323414 -0.183506 0.815622
C 3.760826 1.963020 -0.174783
C 3.749055 1.626647 1.198193
H 1.403379 -0.335710 -2.510972
H 2.073628 -1.765252 -1.718519
H -0.041179 -3.451147 -1.493171
H -2.447309 -3.231719 -0.555693
H -0.081124 1.520102 -0.194185
H 3.006284 1.400115 -2.144916
H 1.758455 -1.017541 1.248858
H 4.343730 2.819844 -0.527567
H -1.308697 3.415191 0.657029
H -2.961319 3.155497 1.209829
H 4.319404 2.210743 1.929317


