%chk=000002896.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002896

0 1
 O    3.288900      5.9000000E-02  0.2700000    
 O    1.707300      0.1048000      -1.361300    
 N  -0.3199000      0.2376000      0.3924000    
 N   -2.384800     -0.3916000     -0.3337000    
 N  -0.7757000      -2.068600      0.1656000    
 C   -1.006000       1.503000      0.3398000    
 C   -2.335900       1.097900     -0.3018000    
 C    1.007000      0.1353000      0.9448000    
 C   -1.188200     -0.7713000      5.8699999E-02
 C    2.007400      9.3900003E-02 -0.1745000    
 H  -0.4738000       2.242900     -0.2658000    
 H   -1.165500       1.905900       1.345600    
 H   -3.184400       1.489200      0.2687000    
 H   -2.407400       1.478300      -1.326800    
 H    1.118300     -0.7576000       1.567300    
 H    1.226500       1.011400       1.565400    
 H   0.1704000      -2.318300      0.4288000    
 H   -1.401100      -2.832800     -6.6200003E-02
 H    3.932600      3.9500002E-02 -0.4700000    


%chk=000002896-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002896

0 1
O 3.231347 0.570252 0.107191
O 2.155739 -1.353006 -0.611133
N -0.246392 0.350824 0.165380
N -2.424005 -0.380815 -0.246854
N -0.673286 -2.015285 -0.030344
C -1.047979 1.602391 0.281029
C -2.480656 1.112546 -0.150536
C 0.987295 0.185224 0.942421
C -1.163667 -0.719889 -0.051969
C 2.145144 -0.298104 0.067349
H -0.653457 2.397210 -0.376641
H -1.038066 1.974961 1.327247
H -3.256235 1.424394 0.572722
H -2.757758 1.529414 -1.137377
H 0.856543 -0.563832 1.754320
H 1.270048 1.146793 1.396685
H 0.302212 -2.177005 -0.301391
H -1.358555 -2.750089 -0.192919
H 3.967429 0.222517 -0.468179


