%chk=000114644.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114644

0 1
 O   -4.456300      -1.345500      0.3099000    
 N   -3.682300     -0.5261000     -0.5160000    
 C   0.5504000       2.009700     -0.5529000    
 C    1.981200       1.544200     -0.2514000    
 C  -0.5196000       1.133200      6.6500001E-02
 C    2.254000      0.1516000     -0.7485000    
 C    2.635800     -0.9252000     -3.6200002E-02
 C  -0.4954000       1.077100       1.573900    
 C   -1.466700      0.4520000     -0.6033000    
 C    2.868600      -2.246000     -0.7205000    
 C    2.849800     -0.9520000       1.450400    
 C   -2.519600     -0.3730000      2.8200001E-02
 H   0.4221000       3.037900     -0.1924000    
 H   0.4081000       2.050600      -1.640900    
 H    2.677600       2.222300     -0.7609000    
 H    2.188300       1.658200      0.8155000    
 H    2.134800      3.3599999E-02  -1.825200    
 H   0.1230000      0.2438000       1.918900    
 H  -7.8199998E-02   2.003000       1.986200    
 H   -1.492600      0.9845000       2.014900    
 H   -1.525900      0.5404000      -1.684700    
 H    2.696600      -2.193600      -1.800700    
 H    2.194300      -3.007100     -0.3142000    
 H    3.900800      -2.576600     -0.5647000    
 H    2.162400      -1.667100       1.914600    
 H    2.695900      1.1100000E-02   1.939400    
 H    3.874400      -1.267300       1.674700    
 H   -2.271900     -0.8347000      0.9996000    
 H   -5.290700      -1.391000     -0.1869000    


%chk=000114644-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114644

0 1
O -4.708375 -1.312571 -0.087140
N -3.680752 -0.579020 -0.841507
C 0.474080 1.976267 -0.503183
C 1.920814 1.457857 -0.224023
C -0.624664 1.194074 0.201911
C 2.129412 0.027004 -0.678582
C 2.735635 -0.993040 -0.005038
C -0.491736 1.077280 1.707448
C -1.653313 0.649227 -0.528512
C 2.854585 -2.375165 -0.628905
C 3.344562 -0.873726 1.382120
C -2.772812 -0.113738 0.000656
H 0.429605 3.038277 -0.177869
H 0.293388 1.968884 -1.595221
H 2.618605 2.128909 -0.768697
H 2.158556 1.577259 0.848674
H 1.732610 -0.194244 -1.682695
H 0.332592 0.384969 1.969559
H -0.239898 2.059251 2.152642
H -1.406507 0.707102 2.197411
H -1.655792 0.781469 -1.618671
H 2.404750 -2.409930 -1.636105
H 2.351682 -3.138511 -0.001937
H 3.915599 -2.684903 -0.713707
H 2.907141 -1.627341 2.066942
H 3.207218 0.122139 1.834614
H 4.433568 -1.077235 1.346297
H -2.866877 -0.308999 1.079892
H -5.324773 -1.613545 -0.803075


