%chk=000023181.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000023181

0 1
 O   2.5699999E-02   4.505900     -1.7400000E-02
 O   -1.551800      0.5652000      2.6200000E-02
 O    1.564100      0.5520000     -8.8000000E-03
 O   -2.627900     -0.2944000       1.849900    
 O    2.711600     -0.2098000      -1.832600    
 N   -3.022700      -1.198900     -0.2558000    
 N    3.011000      -1.225700      0.2378000    
 C   6.6000000E-03   2.371800      2.3800001E-02
 C   0.6806000       3.502800      0.7922000    
 C  -0.7180000       3.486300     -0.7229000    
 C  -0.8961000       1.505000      0.8687000    
 C   0.9447000       1.545400     -0.8343000    
 C   -2.418000     -0.3091000      0.6382000    
 C    2.448900     -0.2868000     -0.6337000    
 C   -3.977700      -2.210000      0.1869000    
 C   -2.736800      -1.171400      -1.683100    
 C    3.981000      -2.217700     -0.2156000    
 C    2.663100      -1.271500       1.650800    
 C   -5.397100      -1.681700      0.1612000    
 C   -1.571500      -2.073700      -2.033100    
 C    5.399700      -1.699400     -0.1004000    
 C    1.480600      -2.184200       1.901800    
 H    1.769500       3.570800      0.7047000    
 H   0.4025000       3.607700       1.846100    
 H   -1.792300       3.584700     -0.5364000    
 H  -0.5387000       3.540600      -1.801300    
 H  -0.3199000      0.9666000       1.631600    
 H   -1.649800       2.109900       1.389000    
 H   0.3911000       1.042800      -1.637200    
 H    1.718800       2.172000      -1.294800    
 H   -3.881200      -3.104300     -0.4380000    
 H   -3.726800      -2.498600       1.213800    
 H   -3.632900      -1.475600      -2.235400    
 H   -2.507700     -0.1474000      -1.996900    
 H    3.854300      -3.142900      0.3565000    
 H    3.774400      -2.450600      -1.266300    
 H    3.533100      -1.610200       2.224400    
 H    2.425000     -0.2643000       2.009300    
 H   -5.502200     -0.8015000      0.8042000    
 H   -5.694300      -1.390300     -0.8513000    
 H   -6.095200      -2.447100      0.5139000    
 H   -1.369100      -2.035000      -3.107900    
 H   -1.778700      -3.114200      -1.763100    
 H  -0.6621000      -1.768600      -1.504300    
 H    5.535800     -0.7873000     -0.6910000    
 H    5.653200      -1.463300      0.9381000    
 H    6.110000      -2.449200     -0.4622000    
 H   0.5962000      -1.847100       1.350600    
 H    1.696000      -3.210500       1.586900    
 H    1.231300      -2.200700       2.967300    


%chk=000023181-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000023181

0 1
O 0.008194 4.867308 0.086107
O -1.690643 0.879976 -0.142396
O 1.674892 0.864420 0.173958
O -1.286555 -0.892995 1.364134
O 1.263002 -0.861220 -1.384333
N -2.383025 -1.261048 -0.673930
N 2.359138 -1.293899 0.641393
C -0.001218 2.657868 0.044589
C 0.606926 3.779403 0.948936
C -0.597713 3.817707 -0.818269
C -1.018501 1.799252 0.802210
C 1.006877 1.815249 -0.741958
C -1.752904 -0.481332 0.262157
C 1.732235 -0.484167 -0.271244
C -2.524590 -2.707322 -0.381096
C -2.833062 -0.758213 -1.993345
C 2.493906 -2.731592 0.306521
C 2.810826 -0.831983 1.975184
C -3.819112 -3.028201 0.395055
C -1.812928 -1.045662 -3.117713
C 3.789327 -3.036602 -0.474531
C 1.789244 -1.147755 3.090591
H 1.710080 3.832900 0.961575
H 0.213953 3.829985 1.981468
H -1.700323 3.881295 -0.831406
H -0.201672 3.903818 -1.847292
H -0.524876 1.201801 1.588250
H -1.799907 2.436701 1.255580
H 0.506812 1.244546 -1.543748
H 1.791576 2.459838 -1.179344
H -2.504801 -3.246907 -1.345452
H -1.646956 -3.027663 0.206113
H -3.804641 -1.237691 -2.223561
H -3.007740 0.324854 -1.905210
H 2.467709 -3.299357 1.254465
H 1.616604 -3.029395 -0.292896
H 3.780212 -1.322280 2.191465
H 2.990374 0.252384 1.918851
H -3.810296 -2.521303 1.375055
H -4.714499 -2.698911 -0.163165
H -3.903689 -4.116978 0.568548
H -2.158906 -0.595564 -4.066699
H -1.688486 -2.131541 -3.283661
H -0.822750 -0.634103 -2.859334
H 3.786518 -2.501460 -1.439458
H 4.684555 -2.728323 0.095799
H 3.868881 -4.120310 -0.679292
H 0.800855 -0.724747 2.844194
H 1.660428 -2.237483 3.224995
H 2.136967 -0.726798 4.052239


