%chk=000089364.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089364

0 1
 O  -0.3115000      -1.600100      -1.540200    
 O   -2.031000     -0.5966000       1.406000    
 O    2.451200     -0.9044000       1.066700    
 O   0.5286000       2.380700     -0.2260000    
 N   0.6405000      2.3900000E-02 -0.1574000    
 N   -1.379500       1.023700     -0.1229000    
 C  -0.3193000      -1.064500     -0.2248000    
 C   -1.655900     -0.3808000      5.5199999E-02
 C   2.7999999E-03   1.276800     -0.1756000    
 C    2.074100     -0.1587000     -8.1000000E-02
 H  -6.9600001E-02  -1.848200      0.4966000    
 H   -2.466600     -0.6917000     -0.6101000    
 H   -2.086200       1.752200     -0.1094000    
 H    2.573100      0.8143000     -4.8500001E-02
 H    2.395600     -0.6983000     -0.9771000    
 H  -0.3778000     -0.8505000      -2.155800    
 H   -2.755600      2.2500001E-02   1.597400    
 H    3.418500     -0.9995000       1.039900    


%chk=000089364-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089364

0 1
O -0.361298 -1.714749 -1.599158
O -1.960528 -0.721836 1.435315
O 2.336016 -0.667576 1.202049
O 0.650124 2.447232 -0.113559
N 0.660475 0.063714 -0.285277
N -1.321427 1.103530 -0.088626
C -0.318142 -1.021465 -0.311408
C -1.657014 -0.305168 0.061223
C 0.063707 1.338483 -0.139509
C 2.075527 -0.153384 -0.158771
H -0.096618 -1.809918 0.420552
H -2.476114 -0.608821 -0.618765
H -1.977966 1.878762 -0.029493
H 2.570802 0.822923 -0.324638
H 2.402991 -0.894527 -0.915878
H -0.445499 -1.041768 -2.324595
H -2.808034 -0.307275 1.738755
H 3.294397 -0.907356 1.284784


