%chk=000149447.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149447

0 1
 O    1.004100       1.240600     -0.5721000    
 O    1.544700      -2.488500      -1.810000    
 O  -0.4176000       2.493100      0.7495000    
 N    1.468700      -1.120400     -0.2419000    
 N    1.640300      -1.290100      -1.527400    
 N   -2.805800      -1.144800       1.139400    
 C   0.6730000      5.8300000E-02  0.1772000    
 C    1.155700      0.3372000       1.625200    
 C    2.136900     -0.7820000       1.946300    
 C    2.670100      -1.184000      0.5866000    
 C  -0.8257000     -0.2446000      9.4800003E-02
 C   -1.555600      8.0100000E-02  -1.040000    
 C   -1.486600     -0.8494000       1.148100    
 C   0.3806000       2.387800     -0.1718000    
 C   -2.915000     -0.2080000      -1.086600    
 C   -3.487500     -0.8156000      1.9300001E-02
 C   0.8195000       3.530300      -1.036800    
 H   0.3848000      0.4144000       2.396200    
 H    1.734700       1.269600       1.682800    
 H    2.929800     -0.4567000       2.626600    
 H    1.608000      -1.621300       2.414500    
 H    3.434100     -0.4708000      0.2502000    
 H    3.110900      -2.186400      0.6149000    
 H   -1.088800      0.5425000      -1.904800    
 H  -0.9846000      -1.172100       2.052900    
 H   -3.507100      3.1900000E-02  -1.962300    
 H   -4.544100      -1.062300      3.2600001E-02
 H   0.5468000       3.333000      -2.076600    
 H    1.898700       3.673400     -0.9415000    
 H   0.3161000       4.445300     -0.7120000    


%chk=000149447-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000149447

0 1
O 0.941952 1.437840 -0.549624
O 2.233474 -2.070202 -2.055383
O -0.251096 2.758711 0.973030
N 1.566233 -0.833002 -0.331565
N 1.390232 -1.186912 -1.645304
N -2.861197 -0.941305 1.255636
C 0.693704 0.198018 0.285182
C 1.317175 0.339265 1.701267
C 2.008863 -1.020787 1.976139
C 2.562738 -1.434116 0.594461
C -0.790413 -0.169147 0.188232
C -1.442246 -0.145982 -1.072313
C -1.545918 -0.576825 1.313636
C 0.376018 2.647364 -0.101429
C -2.801142 -0.509596 -1.147559
C -3.470366 -0.900859 0.035438
C 0.655613 3.743870 -1.104605
H 0.580078 0.637989 2.457863
H 2.076567 1.139882 1.650153
H 2.805427 -0.932830 2.732371
H 1.278557 -1.769679 2.330777
H 3.566915 -1.015145 0.391261
H 2.611424 -2.521632 0.419783
H -0.886275 0.143814 -1.967760
H -1.102440 -0.615020 2.314195
H -3.333768 -0.499108 -2.103413
H -4.526308 -1.193460 0.018429
H 0.197386 3.492972 -2.077194
H 1.741971 3.841437 -1.272735
H 0.245941 4.694942 -0.735669


