%chk=000032021.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032021

0 1
 O    4.792600     -0.8910000       1.126200    
 N   0.5244000     -7.2600000E-02 -0.5390000    
 N   -1.870100       1.799100     -5.4900002E-02
 N   -1.108800      -1.795900     -0.2054000    
 N   -3.940200       1.088000      0.3664000    
 N   -3.447800      -1.290700      0.2692000    
 C    3.410500      0.7622000     -5.1000002E-03
 C    2.899900     -0.1862000      -1.112200    
 C    1.633800     -0.9673000     -0.7633000    
 C    3.738900      4.3800000E-02   1.310400    
 C    4.643000       1.516600     -0.5192000    
 C  -0.8040000     -0.4869000     -0.2688000    
 C   -1.803100      0.4349000     -6.7000002E-02
 C   -3.100500      1.6899999E-02  0.1970000    
 C   -3.169600       2.143000      0.2087000    
 C   -2.398800      -2.114200      5.7100002E-02
 H    2.636700       1.509300      0.2093000    
 H    3.688300     -0.9050000      -1.369500    
 H    2.710900      0.4020000      -2.020300    
 H    1.795000      -1.604900      0.1118000    
 H    1.397500      -1.631100      -1.603700    
 H    4.062700      0.7721000       2.062300    
 H    2.866900     -0.4796000       1.712900    
 H    4.391100       2.107400      -1.406500    
 H    5.453600      0.8324000     -0.7913000    
 H    5.021500       2.207100      0.2421000    
 H   0.6765000      0.9278000     -0.6060000    
 H   -1.103800       2.440500     -0.2111000    
 H    4.962000      -1.304300       1.989800    
 H   -3.485100       3.174700      0.2717000    
 H   -2.618200      -3.175600      0.1030000    


%chk=000032021-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000032021

0 1
O 4.323915 -1.505166 0.697786
N 0.468274 0.115713 -1.356794
N -2.262584 1.697485 -0.850732
N -0.263990 -1.211029 0.472519
N -3.711363 1.079426 0.811194
N -2.381458 -0.838899 1.667154
C 3.178538 0.577970 0.174993
C 2.995925 0.116594 -1.294040
C 1.697923 -0.672377 -1.581425
C 3.227937 -0.618043 1.145263
C 4.443659 1.456741 0.314478
C -0.471730 -0.160487 -0.383040
C -1.674464 0.591745 -0.216230
C -2.593187 0.218384 0.816836
C -3.474899 1.938194 -0.190380
C -1.213840 -1.486412 1.427088
H 2.291859 1.178549 0.470003
H 3.849253 -0.533866 -1.564210
H 3.043488 1.005052 -1.958694
H 1.624817 -1.562409 -0.937782
H 1.707669 -1.021056 -2.633422
H 3.427029 -0.246182 2.173359
H 2.259675 -1.158036 1.141879
H 4.418712 2.311297 -0.387572
H 5.347625 0.858299 0.104169
H 4.535283 1.862306 1.339399
H 0.322726 0.929442 -1.954739
H -1.902639 2.231927 -1.639727
H 4.371389 -2.290818 1.296412
H -4.139293 2.749123 -0.482558
H -0.990448 -2.340968 2.073413


