%chk=000086080.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086080

0 1
 O    3.298000     -0.1759000      0.7902000    
 O    2.608900       1.957000       1.261900    
 O    3.476100      -2.226500     -0.2027000    
 N    1.971500     -0.6092000     -0.9203000    
 N   -2.593800     -0.3275000     -1.2300000E-02
 N   -4.213400      -1.383200       1.266200    
 N   -4.883400      0.3988000      1.2700000E-02
 C    1.597400      0.7261000     -0.5725000    
 C   0.1386000      0.8301000     -0.1549000    
 C  -0.7990000      0.6559000      -1.351800    
 C   -2.269200      0.7419000     -0.9577000    
 C    2.535000      0.9398000      0.5888000    
 C    2.960900      -1.121100     -0.1263000    
 C   -3.827600     -0.4062000      0.3788000    
 H    1.866700       1.392400      -1.397100    
 H  -8.2699999E-02  8.1699997E-02  0.6166000    
 H  -4.2199999E-02   1.811100      0.3024000    
 H  -0.5851000       1.428400      -2.100300    
 H  -0.6177000     -0.3144000      -1.829300    
 H    1.578600      -1.116100      -1.707300    
 H   -2.467000       1.723200     -0.5096000    
 H   -2.875500      0.6452000      -1.866500    
 H   -3.545500      -2.055200       1.628000    
 H   -5.173300      -1.462400       1.583500    
 H   -5.813600      0.2419000      0.3855000    
 H   -4.775500       1.172000     -0.6339000    


%chk=000086080-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000086080

0 1
O 3.328223 -0.173395 0.861890
O 2.767820 2.089027 1.087281
O 3.313447 -2.433711 0.123751
N 1.902017 -0.765748 -0.820541
N -2.579693 -0.205227 0.000576
N -4.110594 -1.603821 1.101889
N -4.946920 0.334071 0.072946
C 1.607238 0.658762 -0.602960
C 0.140156 0.963552 -0.218090
C -0.835615 0.798992 -1.401863
C -2.304429 0.901885 -0.935407
C 2.596563 1.003181 0.525088
C 2.861344 -1.288838 0.018042
C -3.818871 -0.447268 0.365234
H 1.884378 1.259737 -1.493702
H -0.182252 0.293527 0.599630
H 0.102659 2.003072 0.161713
H -0.631461 1.566343 -2.176441
H -0.708835 -0.196478 -1.873105
H 1.377959 -1.363255 -1.457115
H -2.448232 1.898406 -0.452043
H -2.970478 0.877973 -1.830879
H -3.314934 -2.215830 1.274368
H -4.852587 -1.584683 1.799810
H -5.880725 -0.068592 0.099163
H -4.828979 1.246115 -0.357135


