%chk=000050973.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050973

0 1
 O   -2.725600      0.7806000      9.1499999E-02
 O    2.469900      0.4208000      0.2676000    
 O   0.8501000      -2.938600      0.3615000    
 O   -4.559700     -0.5371000     -0.3953000    
 O    4.293200      0.6759000      -1.127100    
 N   0.5153000     -0.9472000     -0.2497000    
 N   0.5878000      -1.795600      0.7546000    
 C  -0.4197000      0.1495000      1.5500000E-02
 C   -1.855000     -0.3067000     -0.1926000    
 C    1.814200     -0.4145000     -0.7096000    
 C   -4.061800      0.5263000     -5.0900001E-02
 C    3.701000      0.8924000     -7.8599997E-02
 C   -4.853000       1.755300      0.2802000    
 C    4.243300       1.738800       1.032900    
 H  -0.2508000      0.9840000     -0.6799000    
 H  -0.2876000      0.5822000       1.017800    
 H   -2.101600      -1.139000      0.4775000    
 H   -2.003200     -0.6294000      -1.230600    
 H    1.664000      0.1695000      -1.627100    
 H    2.483200      -1.246100     -0.9704000    
 H   -4.582000       2.565100     -0.4018000    
 H   -4.668100       2.046600       1.317100    
 H   -5.919500       1.542800      0.1627000    
 H    3.583500       2.593100       1.204200    
 H    4.341500       1.139400       1.941500    
 H    5.232600       2.112900      0.7542000    


%chk=000050973-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050973

0 1
O -2.445258 0.774509 0.222817
O 2.754122 -0.136903 0.165050
O 1.588252 -3.210347 1.384088
O -3.446254 0.608685 -1.874012
O 1.593102 1.640091 -0.813225
N 0.646947 -1.263590 0.689115
N 0.637740 -2.379276 1.561665
C -0.427676 -0.286742 0.945172
C -1.380111 -0.146631 -0.251902
C 1.686142 -1.074618 -0.306790
C -3.445503 1.080047 -0.716770
C 2.591985 1.217840 -0.188762
C -4.472448 2.008856 -0.109707
C 3.779433 2.024616 0.277711
H 0.000208 0.701218 1.187845
H -0.979609 -0.657362 1.825055
H -1.831244 -1.113586 -0.538604
H -0.887008 0.303363 -1.131321
H 1.259931 -0.680141 -1.242645
H 2.208711 -2.033691 -0.440127
H -3.978476 2.837936 0.422901
H -5.084143 1.458679 0.627713
H -5.128412 2.400335 -0.900361
H 3.999719 1.807905 1.336153
H 4.673759 1.743304 -0.306349
H 3.578092 3.096502 0.140487


