%chk=000154519.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154519

0 1
 O   2.2299999E-02 -0.1128000      -1.685700    
 N  -0.3735000     -7.5300001E-02 -0.4698000    
 N   0.3810000      7.1500003E-02  0.5539000    
 N   -4.709700       2.035700      0.1451000    
 N    4.728700      -2.009400      0.1038000    
 C   -1.798500     -0.1933000     -0.1950000    
 C   -2.352500      -1.438100      2.0500001E-02
 C    1.760200      0.1949000      0.3458000    
 C    2.343400       1.447500      0.1549000    
 C   -2.551300      0.9629000     -0.1596000    
 C   -3.719100      -1.531500      0.2832000    
 C   -3.918000      0.8694000      0.1031000    
 C    2.552400     -0.9532000      0.3287000    
 C   -4.502000     -0.3779000      0.3246000    
 C    3.718700       1.552100     -5.2900001E-02
 C   -1.536000      -2.688700     -1.7600000E-02
 C    3.927600     -0.8486000      0.1208000    
 C    4.510800      0.4041000     -7.0000000E-02
 C    1.515500       2.690700      0.1663000    
 H   -2.089000       1.931200     -0.3329000    
 H   -4.190100      -2.495200      0.4585000    
 H    2.095100      -1.929000      0.4776000    
 H   -5.565900     -0.4638000      0.5304000    
 H    4.188700       2.520200     -0.2049000    
 H   -1.036400      -2.793100     -0.9863000    
 H  -0.7840000      -2.678900      0.7780000    
 H   -2.152900      -3.582600      0.1258000    
 H    5.581300      0.4986000     -0.2333000    
 H   0.8996000       2.737700       1.070700    
 H    2.136900       3.592800      0.1554000    
 H   0.8661000       2.724000     -0.7144000    
 H   -5.700700       1.968300      0.3348000    
 H   -4.287300       2.940400     -1.5900001E-02
 H    4.306400      -2.918000      0.2413000    
 H    5.725700      -1.934100     -4.7699999E-02


%chk=000154519-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154519

0 1
O 0.005980 -0.563223 -1.687929
N -0.369808 -0.289981 -0.453650
N 0.420035 0.020118 0.566009
N -4.124096 1.482349 2.160595
N 4.879450 -1.017557 2.123264
C -1.814124 -0.329769 -0.145434
C -2.672179 -1.221036 -0.849345
C 1.821279 0.195599 0.323095
C 2.375062 1.073340 -0.665842
C -2.276618 0.557832 0.849151
C -4.042781 -1.156277 -0.482937
C -3.653729 0.603212 1.183640
C 2.652699 -0.466507 1.263038
C -4.539176 -0.273924 0.493559
C 3.787057 1.199759 -0.678054
C -2.225775 -2.218867 -1.902181
C 4.062548 -0.337430 1.214450
C 4.626449 0.510585 0.217170
C 1.524459 1.897746 -1.607221
H -1.548874 1.194799 1.359970
H -4.743025 -1.831984 -0.987966
H 2.172898 -1.095587 2.021269
H -5.610483 -0.264560 0.728287
H 4.240633 1.870067 -1.418620
H -1.975501 -1.717130 -2.852651
H -1.315971 -2.765623 -1.600288
H -3.031425 -2.951179 -2.088420
H 5.714293 0.639377 0.159917
H 0.683825 2.388338 -1.079676
H 2.127182 2.685739 -2.090802
H 1.072598 1.256809 -2.388682
H -5.110740 1.517369 2.397149
H -3.487122 2.096069 2.659229
H 4.478469 -1.633967 2.823072
H 5.890010 -0.936007 2.074036


