%chk=000028823.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028823

0 1
 O   0.7065000       1.011800      0.1239000    
 N   -3.689000       1.173200      0.7956000    
 N    4.376200       1.131200      0.3069000    
 C  -0.2458000      0.3039000     -0.6739000    
 C  -0.1064000      -1.194800     -0.5115000    
 C  -0.8284000      -1.025700       1.902300    
 C   -1.617200      0.8901000     -0.4205000    
 C  -0.3467000      -1.824400      0.7215000    
 C   -2.243400     -0.5056000       1.674000    
 C   -2.478700      0.5625000      0.6352000    
 C   0.3040000      -1.975000      -1.605900    
 C  -0.1710000      -3.212200      0.8391000    
 C    2.034600      0.6672000     -0.2349000    
 C   -2.044900       1.906600      -1.297500    
 C    2.997100       1.466100      0.6293000    
 C   0.4737000      -3.353500      -1.478600    
 C   0.2380000      -3.971900     -0.2556000    
 C   -3.271200       2.535700      -1.136100    
 C   -4.053000       2.133000     -7.9000004E-02
 C    5.303600       1.869400       1.167800    
 C    4.662200       1.412500      -1.102100    
 H  -7.6000001E-03  0.5305000      -1.723500    
 H  -0.8346000      -1.664000       2.795400    
 H  -0.1312000     -0.2127000       2.131200    
 H   -2.596100     -0.1055000       2.634500    
 H   -2.904500      -1.348300       1.429600    
 H   0.5016000      -1.511800      -2.569700    
 H  -0.3597000      -3.712800       1.785600    
 H    2.229700     -0.3981000     -7.1699999E-02
 H    2.159900      0.8999000      -1.296900    
 H   -1.410600       2.221000      -2.124200    
 H    2.796800       2.539500      0.5092000    
 H    2.786800       1.236500       1.682100    
 H   0.7924000      -3.942400      -2.333600    
 H   0.3693000      -5.045100     -0.1538000    
 H   -3.596400       3.314800      -1.815200    
 H   -5.022800       2.583000      0.1037000    
 H    5.113300       1.641000       2.222500    
 H    5.222200       2.953500       1.028700    
 H    6.338300       1.570900      0.9656000    
 H    4.367200       2.426600      -1.395600    
 H    4.184500      0.6876000      -1.768300    
 H    5.736200       1.309400      -1.300600    


%chk=000028823-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028823

0 1
O 0.721979 0.949284 0.073173
N -3.647498 1.191932 0.923238
N 4.431313 1.314233 0.360514
C -0.287561 0.222741 -0.751805
C -0.198745 -1.291891 -0.594187
C -0.721803 -1.064939 1.887253
C -1.633627 0.860959 -0.425597
C -0.365835 -1.910288 0.678247
C -2.150955 -0.479122 1.791924
C -2.446034 0.555505 0.709393
C 0.091815 -2.087201 -1.727442
C -0.231967 -3.315509 0.776326
C 2.112975 0.623268 -0.293907
C -2.100041 1.861303 -1.317361
C 2.991679 1.658044 0.425015
C 0.212892 -3.491109 -1.621363
C 0.053849 -4.107169 -0.360398
C -3.326632 2.515508 -1.095083
C -4.070859 2.137863 0.044259
C 5.224131 2.069926 1.351826
C 4.998932 1.431620 -0.998396
H -0.061873 0.454947 -1.817606
H -0.665845 -1.682843 2.802418
H -0.000533 -0.234374 1.993301
H -2.418515 -0.002174 2.752971
H -2.878834 -1.305172 1.657555
H 0.224309 -1.602514 -2.703471
H -0.356182 -3.793945 1.755552
H 2.384060 -0.398275 0.038789
H 2.222962 0.676277 -1.399288
H -1.486215 2.123702 -2.187383
H 2.775092 2.675675 0.011058
H 2.685640 1.668121 1.487360
H 0.434539 -4.094082 -2.508755
H 0.152778 -5.194062 -0.261424
H -3.696809 3.287856 -1.776010
H -5.037389 2.604174 0.270238
H 4.821798 1.891015 2.364651
H 5.228879 3.175615 1.171627
H 6.271646 1.718774 1.333715
H 4.931851 2.470125 -1.415063
H 4.481249 0.748972 -1.693952
H 6.064286 1.140830 -0.976913


