%chk=000063659.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063659

0 1
 O    1.716500       1.448600      0.9686000    
 O   -2.857900       2.278900     -1.7000000E-03
 N   -1.685100      0.5140000      0.9944000    
 N   -2.527600      -1.703700      0.8318000    
 N   0.3675000       1.723800     -0.7946000    
 N    1.673800       1.773200      -1.244400    
 C  -0.6368000       1.404100       1.491100    
 C   -1.635300     -0.8567000       1.240800    
 C   -3.765200      0.1348000     -0.2109000    
 C   -2.737500       1.086000      0.2631000    
 C   -3.615800      -1.220600      9.3699999E-02
 C   0.4666000       1.535800      0.4781000    
 C    3.889700       1.571000     -6.8200000E-02
 C   -4.864700      0.5856000     -0.9501000    
 C    2.426400       1.608300     -0.1818000    
 C  -0.4695000      -1.395200       2.035600    
 C   -4.586000      -2.124800     -0.3537000    
 C    4.505900      0.1840000     -0.2177000    
 C   -5.823300     -0.3267000      -1.389000    
 C   -5.684400      -1.680700      -1.091500    
 C    4.871000     -0.2482000      -1.474600    
 C    4.677200     -0.5915000      0.9089000    
 C    5.434500      -1.516900      -1.611500    
 C    5.240700      -1.860200      0.7720000    
 C    5.619400      -2.322800     -0.4883000    
 H  -0.2445000       1.055500       2.450000    
 H   -1.057800       2.401000       1.665700    
 H    4.201500       1.998200      0.8941000    
 H    4.327400       2.236600     -0.8240000    
 H   -4.990800       1.637100      -1.192600    
 H  -0.5035000      -2.489100       2.057300    
 H   0.4809000      -1.095300       1.588800    
 H  -0.5236000      -1.034500       3.066400    
 H   -4.491200      -3.184600     -0.1291000    
 H   -6.678400      1.8100001E-02  -1.963000    
 H   -6.431100      -2.391300      -1.433500    
 H    4.728500      0.3728000      -2.353700    
 H    4.383000     -0.2386000       1.892600    
 H    5.728800      -1.877300      -2.592900    
 H    5.384000      -2.488100       1.646500    
 H    6.057900      -3.310700     -0.5949000    


%chk=000063659-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063659

0 1
O 1.579383 0.475249 0.418165
O -1.961449 1.483525 1.224981
N -1.825271 -0.793782 0.668754
N -3.641511 -1.992737 -0.353831
N 0.763945 -1.066050 -1.043288
N 1.920970 -0.434719 -1.642644
C -0.442945 -0.774053 1.201608
C -2.403671 -1.961807 0.116849
C -3.899737 0.414027 0.209746
C -2.528983 0.459668 0.736327
C -4.410135 -0.815048 -0.317524
C 0.595681 -0.502875 0.149275
C 3.577921 1.333346 -0.839883
C -4.707413 1.581747 0.220191
C 2.373495 0.452378 -0.757269
C -1.568663 -3.217130 0.053086
C -5.737087 -0.850715 -0.828953
C 4.799608 0.736506 -0.128681
C -6.015398 1.530705 -0.287244
C -6.528080 0.309509 -0.812431
C 5.303836 -0.528352 -0.524591
C 5.447009 1.444469 0.911858
C 6.442405 -1.072408 0.108786
C 6.587814 0.899989 1.546526
C 7.088609 -0.359492 1.146338
H -0.232265 -1.731055 1.705219
H -0.392604 0.042342 1.941755
H 3.333115 2.321195 -0.412620
H 3.796255 1.475834 -1.913435
H -4.282040 2.503882 0.629363
H -2.170447 -3.990366 -0.444455
H -0.643192 -3.046631 -0.526106
H -1.291171 -3.586311 1.058963
H -6.108274 -1.798478 -1.229908
H -6.643064 2.427950 -0.281201
H -7.549106 0.276444 -1.208343
H 4.803174 -1.084162 -1.327041
H 5.060224 2.420873 1.228131
H 6.826183 -2.049211 -0.206240
H 7.081783 1.457436 2.350144
H 7.972296 -0.781793 1.637424


