%chk=000051171.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051171

0 1
 O    4.037100      -1.556800      0.6858000    
 O    3.804500       1.659400     -0.7758000    
 N    3.337000     -0.4354000      0.1610000    
 C   -2.281800     -0.1623000     -0.1119000    
 C  -0.8381000     -0.2318000     -4.1200001E-02
 C   -2.989900      0.8421000      0.5505000    
 C  -6.0899999E-02  0.4380000     -0.9861000    
 C  -0.2240000     -0.9695000      0.9708000    
 C    1.945000     -0.3674000      9.3400002E-02
 C   -2.969900      -1.120700     -0.8580000    
 C    1.330800      0.3701000     -0.9187000    
 C    1.167600      -1.037100       1.038200    
 C   -4.381500      0.8878000      0.4669000    
 C   -2.289400       1.886700       1.358900    
 C   -4.361600      -1.075000     -0.9414000    
 C   -5.067400     -7.0799999E-02 -0.2789000    
 C    4.178500      0.5953000     -0.2824000    
 C    5.664000      0.3473000     -0.1312000    
 H  -0.5246000       1.006700      -1.788800    
 H  -0.8153000      -1.496500       1.716000    
 H   -2.437000      -1.911300      -1.381400    
 H    1.884300      0.8591000      -1.713000    
 H    1.628300      -1.613000       1.836700    
 H   -4.948100       1.662900      0.9763000    
 H   -1.728500       1.430400       2.181000    
 H   -1.608900       2.471800      0.7317000    
 H   -2.996500       2.593200       1.808200    
 H   -4.895700      -1.821200      -1.522200    
 H   -6.150900     -3.5399999E-02 -0.3440000    
 H    5.914700      0.1948000      0.9222000    
 H    5.960600     -0.5260000     -0.7186000    
 H    6.220100       1.215800     -0.4966000    
 H    4.027500      -2.140400     -9.2399999E-02


%chk=000051171-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051171

0 1
O 3.975763 -1.686387 0.466070
O 4.075506 1.778349 -0.494113
N 3.451087 -0.410163 0.000834
C -2.338896 -0.150574 -0.015575
C -0.843921 -0.171318 0.015337
C -3.113621 0.990782 0.370422
C -0.054503 0.862515 -0.555899
C -0.153578 -1.273583 0.587769
C 2.019554 -0.299287 0.015647
C -3.016318 -1.330114 -0.436876
C 1.352689 0.814109 -0.566642
C 1.252467 -1.342783 0.598316
C -4.528795 0.903790 0.303052
C -2.489959 2.279246 0.887622
C -4.422696 -1.396254 -0.499606
C -5.187233 -0.266683 -0.130787
C 4.418251 0.599378 -0.188597
C 5.866937 0.169940 -0.017726
H -0.547936 1.716244 -1.031637
H -0.728384 -2.076926 1.062484
H -2.419910 -2.196393 -0.746106
H 1.934614 1.624663 -1.005608
H 1.757765 -2.180671 1.084577
H -5.122425 1.773908 0.610153
H -1.549335 2.094713 1.433603
H -2.254141 2.981295 0.064537
H -3.188328 2.799590 1.566297
H -4.915236 -2.314519 -0.838081
H -6.281756 -0.298618 -0.172720
H 6.046077 -0.247924 0.987006
H 6.148614 -0.609322 -0.748574
H 6.497044 1.057797 -0.174871
H 3.890604 -2.304000 -0.315308


