%chk=000087666.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087666

0 1
 O   -1.018400       1.671000     -0.5197000    
 O   0.8719000      -2.578300      0.3548000    
 N    2.258600     -0.7216000      7.8000002E-02
 N    1.300100       1.419600     -0.3454000    
 N    4.769600      0.5665000     -3.2499999E-02
 N   -3.123900       4.256800      6.9899999E-02
 C  -0.1537000     -0.4835000     -7.5300001E-02
 C    1.031300      -1.377900      0.1403000    
 C   -1.512700      -1.051700     -5.0000001E-02
 C    2.314100      0.6416000     -0.1601000    
 C   6.1000001E-02  0.8287000     -0.3021000    
 C    3.440600      -1.410400      0.2547000    
 C   -2.085400      -1.536000      -1.224500    
 C   -2.222000      -1.104000       1.148600    
 C    3.683100       1.247700     -0.2029000    
 C    4.616700     -0.7751000      0.1968000    
 C   -3.372000      -2.074500      -1.200600    
 C   -3.508300      -1.642600       1.172600    
 C   -4.083400      -2.127800     -2.0000001E-03
 C   -1.057300       2.688700      0.4582000    
 C   -2.210000       3.562900      0.2412000    
 H    3.383800      -2.476500      0.4406000    
 H   -1.542800      -1.501700      -2.166100    
 H   -1.786700     -0.7296000       2.071900    
 H    3.721300       2.332400     -0.3922000    
 H    5.536800      -1.332200      0.3380000    
 H   -3.819700      -2.452400      -2.115100    
 H   -4.062400      -1.684100       2.105800    
 H   -5.085100      -2.547100      1.6799999E-02
 H   -1.126100       2.246100       1.460300    
 H  -0.1519000       3.307300      0.4167000    


%chk=000087666-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000087666

0 1
O -1.091525 1.672133 -0.269823
O 0.981961 -2.634439 0.559245
N 2.244971 -0.673630 0.298489
N 1.228734 1.463993 -0.101590
N 4.779670 0.579937 0.245748
N -3.114894 4.385213 -0.759525
C -0.222685 -0.544722 0.112388
C 0.939718 -1.389102 0.342835
C -1.576445 -1.161120 0.111337
C 2.330128 0.714746 0.083339
C 0.014437 0.844373 -0.088848
C 3.406080 -1.422753 0.479798
C -2.614206 -0.679718 -0.740089
C -1.864620 -2.270925 0.959517
C 3.654336 1.285901 0.073123
C 4.638405 -0.792482 0.447843
C -3.888600 -1.281539 -0.737944
C -3.145346 -2.859890 0.968063
C -4.164954 -2.371583 0.119220
C -0.803543 3.125465 -0.372267
C -2.091456 3.800952 -0.583245
H 3.242530 -2.490721 0.639145
H -2.424043 0.164778 -1.405785
H -1.081295 -2.675074 1.604146
H 3.734696 2.365188 -0.087019
H 5.560171 -1.361414 0.584891
H -4.667082 -0.896290 -1.405499
H -3.344474 -3.705642 1.635320
H -5.158144 -2.834328 0.123136
H -0.319982 3.483412 0.554495
H -0.115444 3.321581 -1.213740


