%chk=000131239.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131239

0 1
 O   0.2425000      -2.703200       0.000000    
 O   7.4699998E-02   2.662100      1.9000000E-03
 N   -1.068800     -0.7812000     -5.0000002E-04
 N    1.268400      0.7258000      6.0000003E-04
 C   -1.154500      0.6100000      3.0000001E-04
 C    1.378100     -0.6344000     -3.0000001E-04
 C   0.1480000      -1.474700     -3.9999999E-04
 C   9.3099996E-02   1.431900      1.2000001E-03
 C   -2.307000       1.302700      1.0000000E-03
 C    2.579500      -1.229100     -3.0000001E-04
 C   -2.302100      -1.575200     -3.0000001E-04
 C   -3.654400      0.7186000      3.0000001E-04
 C    3.878400     -0.5390000     -1.9999999E-04
 C   -4.290500      0.4691000      -1.207700    
 C   -4.272200      0.4239000       1.207700    
 C    4.490700     -0.2393000      -1.207900    
 C    4.469000     -0.1989000       1.207600    
 C   -5.570100     -8.6300001E-02  -1.208500    
 C   -5.551700     -0.1316000       1.207000    
 C    5.722100      0.4157000      -1.207900    
 C    5.700400      0.4562000       1.207700    
 C   -6.200600     -0.3866000     -1.1000000E-03
 C    6.327000      0.7634000     -9.9999997E-05
 H    2.122900       1.275700      6.0000003E-04
 H   -2.318200       2.390400      3.9999999E-04
 H    2.669100      -2.313200     -2.0999999E-03
 H   -2.834700      -1.478400      0.9427000    
 H   -2.042300      -2.641600     -1.6400000E-02
 H   -2.853800      -1.455900     -0.9296000    
 H   -3.811400      0.7006000      -2.155700    
 H   -3.779600      0.6212000       2.156500    
 H    4.029700     -0.5049000      -2.155600    
 H    3.991100     -0.4327000       2.155400    
 H   -6.075500     -0.2847000      -2.149100    
 H   -6.043000     -0.3649000       2.147100    
 H    6.210100      0.6550000      -2.148300    
 H    6.171500      0.7271000       2.148000    
 H   -7.196900     -0.8190000     -1.6000000E-03
 H    7.285900       1.273400     -9.9999997E-05


%chk=000131239-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131239

0 1
O 0.358220 -2.766860 -0.554420
O -0.142955 2.637048 -1.080328
N -1.032530 -0.903274 -0.733349
N 1.175915 0.779702 -0.663493
C -1.255121 0.502448 -0.630988
C 1.394513 -0.581570 -0.367115
C 0.229182 -1.504307 -0.543004
C -0.063830 1.396874 -0.828698
C -2.463738 1.133407 -0.427405
C 2.616853 -1.122291 -0.036256
C -2.119396 -1.808822 -1.178248
C -3.757671 0.626153 0.053184
C 3.900403 -0.450294 0.197319
C -4.956124 1.269912 -0.375718
C -3.864035 -0.413407 1.024752
C 5.097630 -1.203000 -0.001707
C 4.031034 0.899748 0.649917
C -6.214819 0.857484 0.105833
C -5.123244 -0.813631 1.518373
C 6.366604 -0.625128 0.197549
C 5.302644 1.473027 0.857744
C -6.305409 -0.190639 1.052975
C 6.477185 0.720785 0.621317
H 1.988139 1.393186 -0.784834
H -2.407660 2.216101 -0.605979
H 2.610741 -2.218084 0.012572
H -2.652064 -2.272508 -0.331743
H -1.666289 -2.614224 -1.776966
H -2.838366 -1.232156 -1.779136
H -4.889793 2.090587 -1.100089
H -2.953054 -0.867713 1.429684
H 5.018829 -2.246770 -0.328426
H 3.142291 1.484834 0.913035
H -7.123521 1.356842 -0.247996
H -5.182155 -1.604063 2.274922
H 7.269034 -1.222421 0.027292
H 5.377069 2.505350 1.217050
H -7.282395 -0.506023 1.435271
H 7.462783 1.171698 0.779409


