%chk=000021563.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021563

0 1
 O   -2.655600      0.5969000     -0.1478000    
 N   0.2225000      0.1032000      0.2406000    
 N    3.765000       1.073200     -0.3093000    
 N   0.7511000      -2.015100     -0.7130000    
 C    1.340700      0.7273000     -0.4257000    
 C    2.616300      0.4707000      0.3663000    
 C  -0.6290000      0.9269000       1.100400    
 C  -4.8599999E-02  -1.264000      8.8900000E-02
 C   -1.833300       1.503400      0.4056000    
 C    4.996100      0.7949000      0.4294000    
 C    3.572500       2.515300     -0.4573000    
 C   -1.138900      -1.789400      0.7774000    
 C   -2.252700       2.775700      0.2285000    
 C   -3.456300       2.666000     -0.5079000    
 C   -1.420500      -3.143700      0.6373000    
 C   -3.658100       1.320700     -0.7116000    
 C   0.4464000      -3.327600     -0.8247000    
 C  -0.6175000      -3.934500     -0.1772000    
 H    1.437200      0.3593000      -1.455600    
 H    1.126600       1.797500     -0.5138000    
 H    2.508800      0.8593000       1.388400    
 H    2.781100     -0.6098000      0.4585000    
 H  -2.8999999E-02   1.780800       1.449000    
 H  -0.9080000      0.4392000       2.041200    
 H    5.157100     -0.2854000      0.5179000    
 H    4.980400       1.225300       1.437400    
 H    5.865200       1.196300     -0.1037000    
 H    4.498400       2.989100     -0.8064000    
 H    3.288700       3.001100      0.4835000    
 H    2.832300       2.752800      -1.227400    
 H   -1.801600      -1.235400       1.428300    
 H   -1.772900       3.680000      0.5736000    
 H   -4.096600       3.467100     -0.8478000    
 H   -2.263400      -3.583800       1.161900    
 H   -4.424800      0.7468000      -1.211200    
 H    1.102900      -3.900200      -1.471400    
 H  -0.8182000      -4.992400     -0.3011000    


%chk=000021563-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021563

0 1
O -2.984803 0.826114 0.112634
N 0.114976 -0.033928 0.258987
N 3.644835 1.311552 -0.278359
N 0.857941 -2.148031 -0.452074
C 1.251997 0.575886 -0.461306
C 2.558242 0.546225 0.371348
C -0.701122 0.851661 1.112443
C -0.121479 -1.406789 0.170678
C -1.817462 1.571774 0.405281
C 4.991024 0.829077 0.089336
C 3.516899 2.770600 -0.101519
C -1.309054 -2.021617 0.687444
C -1.972536 2.861813 -0.079151
C -3.278595 2.938914 -0.704277
C -1.440198 -3.417634 0.592965
C -3.859697 1.690991 -0.570938
C 0.688943 -3.494957 -0.546790
C -0.424634 -4.188475 -0.027748
H 1.427152 0.021450 -1.395839
H 0.971802 1.613738 -0.723422
H 2.352137 0.915254 1.411539
H 2.863290 -0.511424 0.453550
H -0.032599 1.621565 1.540285
H -1.100307 0.271451 1.964390
H 5.073990 -0.247685 -0.138863
H 5.238426 0.975311 1.172263
H 5.753125 1.364354 -0.506375
H 4.299562 3.286102 -0.686681
H 3.615714 3.092818 0.968275
H 2.538181 3.121008 -0.473573
H -2.125635 -1.421593 1.095027
H -1.242417 3.665288 0.002323
H -3.722593 3.806951 -1.187404
H -2.343646 -3.901355 0.981334
H -4.810262 1.259134 -0.870736
H 1.494182 -4.032752 -1.062508
H -0.501078 -5.275293 -0.121341


