%chk=000105268.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105268

0 1
 O    5.521400      0.2658000      0.2247000    
 N   -3.999700      -1.061400     -5.7100002E-02
 N  -0.5623000      0.1625000      0.5266000    
 N   3.0099999E-02  0.2416000     -0.5753000    
 N   -1.954900      -2.242200      0.1622000    
 N   -6.048600      0.1347000     -0.2781000    
 C    1.414100      0.2474000     -0.3751000    
 C   -1.953100      0.1570000      0.3250000    
 C    4.174600      0.2597000      2.8100001E-02
 C   -2.663400      -1.014700      0.1419000    
 C    2.121000     -0.9548000     -0.3531000    
 C    2.087300       1.455800     -0.1955000    
 C    3.501100     -0.9487000     -0.1513000    
 C    3.467600       1.462000      6.0999999E-03
 C   -2.647300       1.358000      0.3045000    
 C   -4.023000       1.350700      0.1026000    
 C   -4.646500      0.1257000     -7.1699999E-02
 C    6.181700     -0.9991000      0.2356000    
 H    1.604600      -1.901000     -0.4928000    
 H    1.545300       2.397800     -0.2114000    
 H   -2.130000       2.303200      0.4444000    
 H    3.987900      -1.917900     -0.1457000    
 H    3.986500       2.406500      0.1453000    
 H   -4.577200       2.283500      8.4200002E-02
 H   -2.492700      -3.087500      1.6899999E-02
 H  -0.9801000      -2.237600     -0.1118000    
 H   -6.331000      0.5948000      -1.139200    
 H   -6.575700      0.4851000      0.5172000    
 H    7.246400     -0.8064000      0.4037000    
 H    5.835800      -1.626500       1.064200    
 H    6.097300      -1.505400     -0.7320000    


%chk=000105268-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000105268

0 1
O 5.634607 -0.540566 0.647972
N -4.385195 -0.052885 0.929222
N -0.726192 -0.129148 0.402252
N 0.141965 0.057646 -0.574537
N -2.596638 -0.502819 2.372277
N -6.209011 0.382591 -0.447616
C 1.506865 -0.106992 -0.202491
C -2.077401 0.029500 0.052717
C 4.289274 -0.379739 0.288841
C -3.038105 -0.174163 1.115465
C 2.451484 0.090735 -1.243406
C 1.982526 -0.446722 1.101880
C 3.835432 -0.041975 -1.011550
C 3.354911 -0.580992 1.342512
C -2.588538 0.367761 -1.233065
C -3.965308 0.493937 -1.437146
C -4.837215 0.273471 -0.316573
C 6.643301 -0.347207 -0.397058
H 2.071620 0.350424 -2.237159
H 1.255197 -0.599029 1.904579
H -1.871224 0.523229 -2.044637
H 4.538343 0.116578 -1.834548
H 3.740515 -0.840356 2.333623
H -4.376471 0.752492 -2.418137
H -3.270560 -0.645715 3.119512
H -1.590963 -0.592641 2.512395
H -6.641263 0.623931 -1.334280
H -6.785137 0.218750 0.375215
H 7.608889 -0.520413 0.099993
H 6.511363 -1.074193 -1.221798
H 6.610130 0.683113 -0.801353


