%chk=000064103.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064103

0 1
 O   -1.137500      -1.245900     -0.9709000    
 O    2.976800      0.8365000      -2.108100    
 N    2.359200     -0.9044000     -0.6692000    
 N    3.640800      -1.328800       1.288200    
 N   -3.285700     -0.6604000     -0.3744000    
 N  -0.1232000      0.7401000     -0.7933000    
 N   -1.454600      0.9094000     -0.4623000    
 C    1.213600      -1.272600      -1.499900    
 C    4.298900      0.4925000     -0.2113000    
 C    2.644300      -1.599700      0.5043000    
 C    3.156900      0.1697000      -1.092900    
 C    4.491800     -0.2711000      0.9428000    
 C  -1.2700000E-02 -0.5146000      -1.072600    
 C    5.167800       1.542800     -0.5286000    
 C    1.737800      -2.743600      0.8921000    
 C    5.571300      3.1500001E-02   1.780800    
 C    6.238800       1.832400      0.3156000    
 C    6.440700       1.078000       1.469300    
 C   -2.007800     -0.2751000     -0.5800000    
 C   -4.497600      2.2900000E-02  3.2800000E-02
 C   -6.824600     -4.8400000E-02  0.5374000    
 C   -5.659100     -0.7059000      0.1440000    
 C   -4.436300       1.372400      0.2932000    
 C   -6.796100       1.319600      0.8086000    
 C   -5.601900       2.029900      0.6864000    
 C   -8.101600     -0.8072000      0.6678000    
 H    1.034700      -2.350600      -1.470100    
 H    1.423900      -1.016300      -2.544700    
 H    5.027200       2.142800      -1.423200    
 H    1.843500      -3.561900      0.1744000    
 H   0.6954000      -2.420700      0.9330000    
 H    2.014300      -3.122700       1.881200    
 H    5.741700     -0.5487000       2.684600    
 H    6.915900       2.646600      7.3899999E-02
 H    7.275100       1.303800       2.126900    
 H   -3.475100      -1.648900     -0.5336000    
 H   -5.678000      -1.770900     -6.9700003E-02
 H   -3.529200       1.957900      0.2099000    
 H   -7.697800       1.843800       1.114100    
 H   -5.580200       3.095200      0.8973000    
 H   -8.751500     -0.3609000       1.428200    
 H   -8.634200     -0.8135000     -0.2884000    
 H   -7.916000      -1.842500      0.9735000    


%chk=000064103-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064103

0 1
O -0.733153 -1.336447 -0.558547
O 2.284255 -1.064379 -2.224485
N 2.386590 -1.556219 0.073061
N 3.774229 -0.320226 1.601767
N -2.891077 -0.412360 -0.404864
N -0.705299 -2.681081 1.284939
N -1.997092 -2.036165 1.235439
C 1.388783 -2.637653 -0.165555
C 3.700518 0.310050 -0.801064
C 2.924018 -1.307645 1.358686
C 2.758802 -0.782951 -1.082685
C 4.166416 0.511878 0.537347
C 0.000569 -2.262506 0.242173
C 4.135016 1.164022 -1.848891
C 2.532295 -2.225906 2.491659
C 5.065272 1.582169 0.803782
C 5.022865 2.215507 -1.570705
C 5.485827 2.422960 -0.239389
C -1.964457 -1.254670 0.139485
C -4.200418 -0.134514 0.085570
C -6.297599 1.117854 -0.238096
C -4.989583 0.785142 -0.654259
C -4.713953 -0.741106 1.258418
C -6.811186 0.506088 0.936646
C -6.023107 -0.407658 1.668133
C -7.130717 2.120729 -1.017723
H 1.675250 -3.545042 0.385874
H 1.416069 -2.838802 -1.251253
H 3.759305 0.977903 -2.860282
H 2.924850 -3.249034 2.332814
H 1.438429 -2.309567 2.617653
H 2.977696 -1.824908 3.412746
H 5.410193 1.719832 1.832803
H 5.360920 2.877281 -2.374964
H 6.178088 3.245526 -0.028432
H -2.599152 0.065433 -1.259832
H -4.580160 1.247294 -1.562927
H -4.102084 -1.450126 1.821847
H -7.826313 0.748056 1.272479
H -6.429982 -0.874210 2.572142
H -8.166157 1.760605 -1.155938
H -7.190890 3.087735 -0.482402
H -6.704179 2.319611 -2.016070


