%chk=000021767.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021767

1 1
 O    1.452000     -0.9151000      -1.872000    
 O    5.938200       1.700000     -0.7152000    
 O    3.215400       1.607700      -1.582700    
 O    6.862700      0.1671000      0.8974000    
 O   -6.034200       1.698600      0.8092000    
 O   -6.998000     -2.5500000E-02 -0.5715000    
 O   -3.242200       1.824300       1.443700    
 N   0.6221000      -1.200000      0.3824000    
 N  -0.8125000      -1.241000      0.1157000    
 C    1.444200     -0.3980000     -0.5386000    
 C    1.262000      -2.472900      0.7174000    
 C    2.567600      -2.228800       1.476500    
 C    2.890200     -0.2733000     -0.1037000    
 C    3.440600      -1.182200      0.8342000    
 C   -1.390700      -2.510500     -0.4046000    
 C   -2.596600      -2.219100      -1.296000    
 C   -3.521300      -1.202400     -0.6793000    
 C   -1.527900     -0.2027000      0.3878000    
 C   -2.971100     -0.1822000      0.1290000    
 C    3.700600      0.7269000     -0.6685000    
 C    4.786200      -1.073700       1.219400    
 C    5.020300      0.7977000     -0.2731000    
 C    5.547900     -7.7600002E-02  0.6450000    
 C   -3.755800      0.8383000      0.6675000    
 C   -4.891800      -1.196500     -0.9595000    
 C   -5.104200      0.8019000      0.3793000    
 C   -5.655600     -0.1850000     -0.4091000    
 C    7.103800       1.294400      3.0800000E-02
 C   -7.230400       1.167900      0.2037000    
 C    3.271200       2.993800      -1.245100    
 C   -3.392600       3.167700      0.9799000    
 H    1.024000      0.6150000     -0.5805000    
 H    1.465900      -3.061900     -0.1865000    
 H   0.6203000      -3.083300       1.365200    
 H    3.115600      -3.175900       1.549300    
 H    2.338400      -1.896800       2.497300    
 H   -1.676500      -3.111900      0.4658000    
 H  -0.6399000      -3.048300     -0.9913000    
 H   -3.130800      -3.156500      -1.490100    
 H   -2.259800      -1.825400      -2.263900    
 H   -1.031500      0.6735000      0.8367000    
 H    5.216300      -1.751300       1.949700    
 H   -5.341100      -1.954000      -1.592500    
 H   0.5279000     -0.9559000      -2.169800    
 H    7.441900       2.140000      0.6406000    
 H    7.898700       1.030100     -0.6761000    
 H   -7.661000       1.933700     -0.4517000    
 H   -7.951800      0.9369000      0.9959000    
 H    4.215200       3.427100      -1.586700    
 H    3.143100       3.155600     -0.1692000    
 H    2.454800       3.500700      -1.767700    
 H   -2.571100       3.760300       1.392800    
 H   -4.334000       3.588600       1.343900    
 H   -3.344500       3.226300     -0.1129000    


%chk=000021767-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021767

1 1
O 1.246442 -0.889090 -1.700027
O 6.179327 1.329521 -1.038288
O 3.171673 1.140678 -1.927286
O 6.939291 0.188184 0.932032
O -6.394371 1.505756 0.788622
O -6.958424 0.149897 -1.104879
O -3.472698 1.466245 1.924044
N 0.584554 -0.900876 0.611985
N -0.775496 -1.031632 0.184107
C 1.416053 -0.203210 -0.382211
C 1.168963 -2.151962 1.180572
C 2.396488 -1.731417 2.006975
C 2.871819 -0.175852 0.053613
C 3.353172 -0.882158 1.182856
C -1.213908 -2.162552 -0.709086
C -2.293158 -1.667697 -1.684438
C -3.394856 -0.891537 -0.977991
C -1.657149 -0.125323 0.615020
C -3.015507 -0.101646 0.164920
C 3.756831 0.588148 -0.775230
C 4.723804 -0.802217 1.552711
C 5.104630 0.657155 -0.399833
C 5.556687 -0.020197 0.753911
C -3.960236 0.765491 0.842618
C -4.709458 -0.852737 -1.467414
C -5.266953 0.776110 0.332239
C -5.613585 -0.017123 -0.785241
C 7.388036 1.016129 -0.216817
C -7.520669 1.107461 -0.102230
C 3.903067 2.194051 -2.672581
C -4.343756 2.434838 2.642640
H 1.029586 0.828525 -0.499638
H 1.461139 -2.870564 0.386948
H 0.410378 -2.618096 1.831963
H 2.912938 -2.637296 2.372958
H 2.054902 -1.167733 2.896540
H -1.599439 -2.971949 -0.058793
H -0.324508 -2.502251 -1.257302
H -2.708658 -2.536994 -2.222418
H -1.819690 -1.015140 -2.445120
H -1.293191 0.601475 1.345667
H 5.114222 -1.338067 2.421110
H -5.026887 -1.431215 -2.337483
H 1.826208 -0.392761 -2.340662
H 7.817182 1.957762 0.162145
H 8.093776 0.431477 -0.830785
H -7.897782 1.994898 -0.634107
H -8.289902 0.586128 0.489883
H 4.843536 1.797183 -3.085962
H 4.115706 3.050852 -2.010965
H 3.218811 2.493486 -3.479460
H -3.695516 2.854116 3.423906
H -5.206145 1.915334 3.089254
H -4.687083 3.224794 1.955308


