%chk=000043057.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043057

0 1
 O   -2.559300       1.086000      0.6389000    
 O    3.452600      0.1063000     -0.5818000    
 N    1.434300     -0.1825000     -4.8400000E-02
 N  -0.9342000     -0.1984000     -0.4172000    
 N    2.509500      0.5703000      7.0100002E-02
 C   0.2071000      0.6251000     -5.7100002E-02
 C    1.348900      -1.237700      0.9757000    
 C   -2.226800      0.1119000     -3.1399999E-02
 C   -3.232200     -0.8808000     -0.5487000    
 H   1.9400001E-02   1.111600      0.9091000    
 H   0.2597000       1.408800     -0.8238000    
 H  -0.7713000     -0.9920000      -1.029800    
 H    1.209500     -0.8241000       1.982300    
 H    2.261800      -1.846900      0.9844000    
 H   0.5284000      -1.933800      0.7702000    
 H   -3.407300     -0.6994000      -1.612500    
 H   -2.868200      -1.902800     -0.4085000    
 H   -4.173200     -0.7687000     -3.1999999E-03


%chk=000043057-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043057

0 1
O -2.107198 0.041842 1.246519
O 3.335150 -0.862373 -0.304301
N 1.309356 -0.047412 0.199993
N -0.950733 0.059975 -0.769928
N 2.382732 -0.081417 -0.676219
C 0.188909 0.805805 -0.227564
C 1.269102 -0.868020 1.426291
C -2.052859 -0.268195 0.017706
C -3.177356 -1.010213 -0.693040
H -0.183536 1.377190 0.638254
H 0.592525 1.485570 -0.995395
H -0.906111 -0.260250 -1.738574
H 2.078763 -0.564040 2.113423
H 1.428939 -1.932395 1.177482
H 0.287445 -0.728953 1.903333
H -4.102509 -0.412749 -0.621760
H -2.967737 -1.217354 -1.756273
H -3.366183 -1.964110 -0.171646


