%chk=000029407.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029407

0 1
 O    3.717800     -0.2039000      0.4710000    
 O   -2.308400       2.308000      0.3478000    
 O   -2.408800      -2.251200     -0.4712000    
 N   -1.839900      8.8000000E-03 -1.5799999E-02
 C  -0.4140000     -4.5200001E-02  0.1094000    
 C   0.3606000       1.056000     -0.2547000    
 C   0.1998000      -1.200100      0.5945000    
 C    2.363200     -0.1525000      0.3512000    
 C   -2.605900       1.151600      9.6299998E-02
 C   -2.658100      -1.074300     -0.2673000    
 C    1.749200       1.002400     -0.1340000    
 C    1.588400      -1.253800      0.7153000    
 C   -4.005000      0.7479000     -0.1060000    
 C   -4.036800     -0.5654000     -0.3091000    
 C    4.481400      0.5737000     -0.4500000    
 C    5.816800     -0.1022000     -0.6774000    
 H  -8.1900001E-02   1.962300     -0.6562000    
 H  -0.3734000      -2.065300      0.9131000    
 H    2.313500       1.889000     -0.4076000    
 H    2.061000      -2.153700       1.099600    
 H   -4.844500       1.422100     -7.8100003E-02
 H   -4.906800      -1.174900     -0.4873000    
 H    4.638700       1.574200     -3.2400001E-02
 H    3.984700      0.6559000      -1.424900    
 H    5.675300      -1.109800      -1.082200    
 H    6.358800     -0.2126000      0.2676000    
 H    6.434100      0.4740000      -1.372400    


%chk=000029407-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029407

0 1
O 3.727740 -0.515970 0.015063
O -2.173759 2.353466 0.468905
O -2.532704 -2.261813 -0.454946
N -1.914839 0.012465 0.003546
C -0.478908 -0.096711 -0.011512
C 0.308196 0.946194 -0.549653
C 0.151969 -1.252147 0.519135
C 2.343167 -0.308691 -0.029104
C -2.653647 1.217418 0.240874
C -2.831340 -1.067988 -0.214238
C 1.715831 0.848976 -0.553875
C 1.551744 -1.358398 0.502002
C -4.111222 0.845224 0.166917
C -4.214478 -0.483591 -0.096135
C 4.601913 0.547190 -0.522943
C 6.039961 0.074631 -0.330577
H -0.170186 1.842691 -0.951145
H -0.448561 -2.068205 0.927617
H 2.300906 1.674167 -0.968845
H 2.054056 -2.244404 0.900907
H -4.895594 1.587181 0.316006
H -5.104548 -1.100308 -0.220006
H 4.411022 1.492605 0.025279
H 4.369145 0.705541 -1.596101
H 6.215802 -0.870140 -0.872465
H 6.254170 -0.093753 0.738496
H 6.743962 0.835369 -0.714001


