%chk=000056823.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056823

0 1
 O   -1.489500     -0.7490000      -2.505300    
 O   -3.648300      -5.446800       1.142400    
 O   -3.291400       6.219600      0.2999000    
 O    7.375000     -0.1703000      0.2853000    
 O   -4.166900       4.808400       1.735500    
 O    6.473400       1.224400       1.721000    
 N   3.6499999E-02   1.028300      -1.100100    
 N    1.254100      -1.038900      -1.042000    
 N   -3.361800       5.075800      0.8109000    
 N    6.370600      0.3746000      0.8035000    
 C   2.3200000E-02 -0.3601000     -0.6625000    
 C   -1.132200      -1.110900      -1.365100    
 C  -0.8001000       2.026600     -0.6276000    
 C    2.517100     -0.6912000     -0.5851000    
 C   -1.785300      -2.236600     -0.7154000    
 C   -1.717300       1.769500      0.4084000    
 C    2.675600      0.2566000      0.4419000    
 C  -0.7572000       3.323000      -1.173300    
 C    3.669700      -1.275400      -1.139800    
 C   -1.069000      -3.040900      0.1709000    
 C   -3.127400      -2.511400     -0.9780000    
 C   -2.562100       2.773500      0.8817000    
 C    3.945400      0.6088000      0.8989000    
 C   -1.601800       4.327000     -0.6997000    
 C    4.939700     -0.9233000     -0.6825000    
 C   -1.694900      -4.120100      0.7947000    
 C   -3.753300      -3.590600     -0.3539000    
 C   -2.504300       4.052300      0.3278000    
 C    5.077500      1.8900000E-02  0.3368000    
 C   -3.037000      -4.394900      0.5324000    
 C   -2.858000      -6.226700       2.038500    
 H  -0.1042000     -0.4324000      0.4230000    
 H   0.6496000       1.262200      -1.873600    
 H    1.212000      -1.722400      -1.791100    
 H   -1.805000      0.7899000      0.8686000    
 H    1.824500      0.7315000      0.9213000    
 H  -5.9599999E-02   3.554000      -1.975500    
 H    3.579800      -2.011300      -1.935800    
 H  -2.1800000E-02  -2.864000      0.3940000    
 H   -3.703200      -1.893000      -1.661700    
 H   -3.253400       2.523600       1.682600    
 H    4.015200       1.343500       1.697100    
 H   -1.528800       5.311400      -1.155000    
 H    5.798900      -1.403600      -1.143700    
 H   -1.080000      -4.704900       1.470400    
 H   -4.799400      -3.798900     -0.5610000    
 H   -2.518600      -5.634700       2.895200    
 H   -2.028600      -6.718900       1.519300    
 H   -3.503100      -7.018600       2.432800    


%chk=000056823-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000056823

0 1
O 0.390442 -2.843158 -2.566381
O -4.909662 -4.600234 0.580018
O -3.273869 4.794871 1.882956
O 7.630015 1.654958 -0.425981
O -2.444804 3.653489 3.681931
O 6.395393 2.692892 1.192884
N -0.155890 0.108672 -1.148968
N 1.954767 -1.089724 -1.457373
N -2.588612 3.827216 2.405362
N 6.516701 1.861537 0.205628
C 0.631739 -1.111046 -0.864288
C -0.112596 -2.343770 -1.509259
C -0.721714 1.001125 -0.244147
C 3.043674 -0.339809 -1.032926
C -1.358293 -2.860033 -0.912210
C -0.573710 0.882258 1.175658
C 2.961984 0.605120 0.036079
C -1.493742 2.092838 -0.757932
C 4.300883 -0.524530 -1.692395
C -1.954572 -2.323907 0.262091
C -1.989887 -3.977008 -1.544830
C -1.178375 1.810626 2.036104
C 4.098377 1.320848 0.441175
C -2.096774 3.018432 0.099167
C 5.434086 0.191675 -1.292947
C -3.135930 -2.869828 0.794004
C -3.162243 -4.531477 -1.026882
C -1.942969 2.870493 1.499809
C 5.330114 1.111826 -0.220374
C -3.745868 -3.979660 0.148934
C -5.576999 -4.079934 1.784424
H 0.684839 -1.234302 0.231537
H -0.277699 0.313185 -2.143896
H 2.051901 -1.735157 -2.253024
H 0.022049 0.077930 1.618320
H 2.010267 0.801069 0.535658
H -1.613959 2.200486 -1.842338
H 4.373836 -1.244133 -2.516026
H -1.519313 -1.459865 0.771705
H -1.528088 -4.389758 -2.447153
H -1.068255 1.731704 3.121048
H 4.050831 2.047621 1.256632
H -2.688348 3.852702 -0.286775
H 6.399869 0.054843 -1.786316
H -3.573063 -2.429881 1.694402
H -3.652067 -5.386499 -1.501361
H -5.893080 -3.030162 1.639558
H -4.917670 -4.159935 2.668696
H -6.459417 -4.721007 1.917099


