%chk=000004358.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004358

0 1
 O   -1.542500      -1.849400       1.563500    
 N   -2.606200     -0.7460000     -0.1807000    
 N  -0.6137000      -1.826700     -0.5626000    
 C   -3.746500     -0.2715000      0.5714000    
 C   -4.997300     -0.1998000     -0.3110000    
 C   -3.450000       1.082100       1.225800    
 C   -4.933000      0.9424000      -1.325000    
 C   -3.388300       2.222100      0.2093000    
 C   -4.648400       2.280100     -0.6490000    
 C   -1.584200      -1.505300      0.3830000    
 C   0.5584000      -2.608400     -0.2464000    
 C    1.737200      -1.746300      0.2009000    
 C    2.224300     -0.7406000     -0.8509000    
 C    3.411200      7.7900000E-02 -0.4091000    
 C    3.202200       1.283400      0.2438000    
 C    4.692400     -0.3879000     -0.6632000    
 C    4.300100       2.040800      0.6521000    
 C    5.790300      0.3694000     -0.2548000    
 C    5.594100       1.583700      0.4028000    
 H   -3.933800      -1.000700       1.369500    
 H   -5.144000      -1.148400     -0.8414000    
 H   -5.877000     -5.3700000E-02  0.3288000    
 H   -4.239200       1.304500       1.955500    
 H   -2.506500       1.042300       1.783200    
 H   -5.884400       1.002400      -1.866100    
 H   -4.159500      0.7377000      -2.074400    
 H   -2.511000       2.095100     -0.4364000    
 H   -3.258700       3.174900      0.7351000    
 H   -5.503500       2.560000     -2.1400001E-02
 H   -4.541600       3.062200      -1.408900    
 H   -2.503900     -0.4556000      -1.148000    
 H  -0.7290000      -1.492800      -1.514400    
 H   0.3072000      -3.326500      0.5418000    
 H   0.8224000      -3.174400      -1.145900    
 H    2.566200      -2.410600      0.4759000    
 H    1.460900      -1.203600       1.114400    
 H    1.407800     -6.0300000E-02  -1.125400    
 H    2.479000      -1.274500      -1.776100    
 H    2.198300       1.646700      0.4445000    
 H    4.855400      -1.333300      -1.172800    
 H    4.147400       2.986000       1.164800    
 H    6.798000      1.3300000E-02 -0.4484000    
 H    6.449000       2.173300      0.7210000    


%chk=000004358-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004358

0 1
O -1.493434 -1.742701 1.473743
N -2.631209 -0.666098 -0.267704
N -0.598927 -1.786603 -0.687463
C -3.734778 -0.198496 0.598950
C -5.076581 -0.230488 -0.176265
C -3.465426 1.223770 1.166447
C -5.160532 0.865436 -1.269151
C -3.537502 2.314185 0.072019
C -4.892365 2.270728 -0.676788
C -1.570956 -1.411989 0.247089
C 0.569599 -2.582583 -0.278353
C 1.775198 -1.736899 0.195909
C 2.348526 -0.809013 -0.908995
C 3.534132 0.014262 -0.426839
C 3.333453 1.158739 0.389513
C 4.864617 -0.356594 -0.749992
C 4.429041 1.910012 0.869094
C 5.965370 0.391434 -0.271952
C 5.751294 1.528527 0.540164
H -3.770443 -0.911006 1.442572
H -5.229532 -1.235794 -0.613134
H -5.894457 -0.064941 0.553050
H -4.227188 1.435112 1.945159
H -2.480099 1.227732 1.667508
H -6.155723 0.833982 -1.752830
H -4.423187 0.664110 -2.076925
H -2.710871 2.164408 -0.653741
H -3.381746 3.313181 0.522532
H -5.706900 2.522963 0.033734
H -4.916595 3.035532 -1.477171
H -2.655893 -0.417842 -1.257211
H -0.679533 -1.494796 -1.661376
H 0.244446 -3.237133 0.549170
H 0.866452 -3.225275 -1.130386
H 2.570423 -2.423566 0.548569
H 1.463064 -1.134335 1.069121
H 1.537462 -0.135539 -1.251277
H 2.649002 -1.427423 -1.778862
H 2.310845 1.462245 0.647885
H 5.038373 -1.236445 -1.382541
H 4.253864 2.792081 1.495847
H 6.985979 0.089889 -0.534724
H 6.602338 2.111230 0.910405


