%chk=000147368.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147368

0 1
 O    3.355500      0.3594000     -3.0000000E-03
 O   0.5694000       2.576800      0.1134000    
 O    3.273500       2.535100      0.7174000    
 O   -4.262200      -1.748400      0.5089000    
 O  -0.4627000       5.052200      0.7162000    
 O   -7.117000      -3.763500      0.5595000    
 O   -5.763100      -3.102100       2.161800    
 N   -1.655200       3.217300     -0.1777000    
 N   -1.838300      0.2672000      -1.222300    
 N   -6.098100      -3.116700      0.9412000    
 C    6.766700      -1.191900      0.2684000    
 C    7.357000      -2.557200     -9.5299996E-02
 C    5.277100      -1.070100     -4.8599999E-02
 C    8.842300      -2.687500      0.2448000    
 C    4.743300      0.3132000      0.2992000    
 C    9.396900      -4.032100     -0.2010000    
 C    2.715000       1.546400      0.2536000    
 C    1.295900       1.470000     -9.6400000E-02
 C  -0.7355000      0.9559000     -0.7357000    
 C   0.5792000      0.4480000     -0.6077000    
 C  -0.6893000       2.254300     -0.2840000    
 C   -2.492500     -0.3611000     -0.2836000    
 C   -3.683900      -1.151200     -0.5482000    
 C   -1.492200       4.527600      0.3046000    
 C   -4.335200      -1.399800      -1.710400    
 C   -5.335700      -2.413100      6.8000001E-03
 C   -5.424200      -2.230200      -1.353600    
 C   -2.786900       5.301500      0.2716000    
 H    7.317200     -0.4111000     -0.2712000    
 H    6.924100      -1.007800       1.338500    
 H    7.214300      -2.730000      -1.169400    
 H    6.797100      -3.342400      0.4280000    
 H    4.709800      -1.830800      0.5018000    
 H    5.098100      -1.272500      -1.111800    
 H    9.406900      -1.885900     -0.2452000    
 H    8.986800      -2.573700       1.325300    
 H    4.890300      0.5140000       1.366800    
 H    5.269800       1.076300     -0.2859000    
 H    9.297300      -4.158500      -1.283900    
 H    8.870800      -4.856100      0.2915000    
 H    10.45890      -4.106600      5.3300001E-02
 H   0.9269000     -0.5427000     -0.8649000    
 H   -2.583900       2.937600     -0.4846000    
 H   -2.166600     -0.3211000      0.7741000    
 H   -4.080300      -1.042500      -2.697900    
 H   -6.176900      -2.640800      -2.011800    
 H   -3.138500       5.387800     -0.7603000    
 H   -2.631000       6.303800      0.6798000    
 H   -3.541700       4.787100      0.8731000    


%chk=000147368-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000147368

0 1
O 3.436639 0.544307 0.091804
O 0.686243 2.957925 -0.034599
O 3.554827 2.890830 0.138931
O -3.696065 -2.616137 -0.275961
O -0.551576 5.572649 -0.105255
O -6.747131 -4.489234 -0.435125
O -4.556760 -5.194871 -0.316204
N -1.668341 3.506970 -0.163485
N -2.059727 0.633821 -0.188846
N -5.465303 -4.276040 -0.366787
C 6.843638 -1.201955 0.177169
C 7.246101 -2.690011 0.073936
C 5.312140 -0.996439 0.091893
C 8.772793 -2.917788 0.160757
C 4.928382 0.479905 0.175645
C 9.163727 -4.406950 0.047533
C 2.885178 1.833960 0.083932
C 1.423576 1.723699 0.001878
C -0.790462 1.186009 -0.119125
C 0.553228 0.648603 -0.047788
C -0.638872 2.596942 -0.108020
C -2.262019 -0.672143 -0.200448
C -3.598259 -1.203922 -0.272202
C -1.624697 4.928921 -0.164612
C -4.889326 -0.648851 -0.340991
C -5.061092 -2.901332 -0.347728
C -5.819162 -1.730665 -0.389159
C -3.009887 5.559740 -0.250365
H 7.342762 -0.631424 -0.633473
H 7.223718 -0.785154 1.132978
H 6.868800 -3.106283 -0.883407
H 6.744739 -3.263356 0.881416
H 4.814254 -1.549050 0.911965
H 4.930442 -1.416039 -0.858878
H 9.274003 -2.340419 -0.642857
H 9.149484 -2.507076 1.119763
H 5.244134 0.944277 1.128505
H 5.352003 1.073611 -0.655518
H 8.825971 -4.833181 -0.915989
H 8.700429 -5.001394 0.857520
H 10.258681 -4.543906 0.112119
H 0.867009 -0.392175 -0.033553
H -2.581170 3.034861 -0.215633
H -1.451254 -1.420481 -0.156478
H -5.110863 0.415028 -0.353765
H -6.903406 -1.685598 -0.446583
H -3.513864 5.286402 -1.196039
H -2.901035 6.652675 -0.211696
H -3.653429 5.234838 0.588029


