%chk=000036658.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036658

0 1
 O    2.722500      -3.275400      0.2797000    
 O   -2.428400      -1.506000       1.186400    
 O   -4.989800     -0.6506000       1.231500    
 N   0.5826000       1.703800     -0.5481000    
 N   -4.185400     -0.4764000      9.7300000E-02
 C  -0.8480000      2.6300000E-02 -0.8072000    
 C   0.4192000     -0.5194000     -0.4588000    
 C  -0.7157000       1.395000     -0.8543000    
 C    1.298600      0.5540000     -0.3017000    
 C   -2.084600     -0.7383000      -1.072500    
 C    1.125600       3.045400     -0.4903000    
 C   0.9039000      -1.827700     -0.2612000    
 C    2.643800      0.3838000      4.4599999E-02
 C   -1.716700       2.437500      -1.166500    
 C    2.247200      -2.013100      8.5400000E-02
 C    3.101900     -0.9229000      0.2355000    
 C   -2.901600     -0.9528000      0.1952000    
 C   0.9942000       3.634100      0.8799000    
 C    2.032000       4.051000       1.613900    
 C    1.798600      -4.348400      0.1113000    
 H   -2.688800     -0.2432000      -1.841400    
 H   -1.850700      -1.730900      -1.476100    
 H    2.167800       3.008100     -0.8265000    
 H   0.5979000       3.671600      -1.217000    
 H   0.1969000      -2.638100     -0.3887000    
 H    3.318700       1.223900      0.1669000    
 H   -1.483300       2.925600      -2.118400    
 H   -2.724200       2.019900      -1.253700    
 H   -1.759300       3.200100     -0.3830000    
 H    4.143000      -1.083300      0.5062000    
 H  -5.2000000E-03   3.742600       1.293400    
 H   -4.563400      9.1700003E-02 -0.6519000    
 H    1.872600       4.476900       2.598400    
 H    3.050700       3.975000       1.250400    
 H    2.345100      -5.277800      0.3028000    
 H    1.427800      -4.403800     -0.9179000    
 H   0.9865000      -4.300300      0.8447000    
 H   -5.448600      -1.473700      0.9921000    


%chk=000036658-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036658

0 1
O 2.390842 -3.236609 0.664882
O -4.231805 -1.814609 -0.737793
O -3.624915 -1.551295 1.825509
N 0.447036 1.853332 -0.606097
N -2.766869 -1.007039 0.809288
C -1.010093 0.149403 -1.088150
C 0.193579 -0.424623 -0.511849
C -0.825456 1.541442 -1.132001
C 1.082419 0.660741 -0.214865
C -2.210582 -0.623384 -1.573897
C 1.033202 3.197152 -0.469843
C 0.588248 -1.763046 -0.230621
C 2.357330 0.442911 0.356147
C -1.749611 2.609318 -1.646641
C 1.863196 -1.972878 0.334414
C 2.738327 -0.881256 0.626675
C -3.137602 -1.188215 -0.493256
C 1.094570 3.682977 0.970534
C 2.193609 4.228324 1.545302
C 1.545372 -4.402167 0.407140
H -2.850089 -0.008849 -2.232876
H -1.896452 -1.488880 -2.190141
H 2.047014 3.202747 -0.913749
H 0.416549 3.892247 -1.068362
H -0.084873 -2.596008 -0.453916
H 3.029023 1.271014 0.600380
H -1.331920 3.136979 -2.526314
H -2.707666 2.162741 -1.957341
H -1.979776 3.372492 -0.878737
H 3.710825 -1.110953 1.071872
H 0.162792 3.580057 1.545409
H -1.914649 -0.582913 1.173537
H 2.180710 4.589481 2.579032
H 3.139240 4.333260 0.997458
H 2.138367 -5.268581 0.735334
H 1.309169 -4.499242 -0.671149
H 0.602906 -4.353837 0.987757
H -4.358565 -1.948031 1.247328


