%chk=000029177.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029177

0 1
 O   -6.050600     -0.9939000      1.0500000E-02
 O    2.301800       1.310700     -0.7032000    
 O    2.182500       3.125400      0.7080000    
 N   -3.790900      0.9119000      0.1659000    
 N    4.598200      -1.156100      0.1334000    
 C   -2.428800     -0.8196000     -0.1325000    
 C   -3.753700     -0.4421000     -2.6300000E-02
 C   -2.021400      -2.237400     -0.3438000    
 C   -1.632200      0.3535000     -9.8000001E-03
 C   -3.131100      -3.185700      0.1395000    
 C   -2.511800       1.423800      0.1769000    
 C   -4.511400      -2.795200     -0.4104000    
 C   -4.878700      -1.344600     -0.1014000    
 C  -0.2470000      0.6135000     -3.8600001E-02
 C   -2.071700       2.742900      0.3371000    
 C   -4.989800       1.706700      0.3387000    
 C   0.2063000       1.927900      0.1203000    
 C  -0.6940000       2.974800      0.3053000    
 C    3.995700      -1.000300      -1.185000    
 C    4.272600      0.3964000      -1.732000    
 C    1.634600       2.202400      9.1399997E-02
 C    3.719700       1.476400     -0.8119000    
 C    6.048000     -0.9645000      6.3699998E-02
 C    4.286700      -2.473700      0.6904000    
 C    6.681100      -1.058500       1.441600    
 C    2.785800      -2.694400      0.7721000    
 H   -1.092500      -2.457000      0.1941000    
 H   -1.833800      -2.401100      -1.411600    
 H   -3.168300      -3.162700       1.236800    
 H   -2.890900      -4.214100     -0.1526000    
 H   -4.536400      -2.923800      -1.498500    
 H   -5.274200      -3.446400      3.0099999E-02
 H   0.4427000     -0.2153000     -0.1715000    
 H   -2.754700       3.572400      0.4808000    
 H   -4.751900       2.760700      0.4807000    
 H   -5.605100       1.597200     -0.5583000    
 H   -5.520000       1.339100       1.221300    
 H  -0.3377000       3.995800      0.4251000    
 H    2.908400      -1.121700      -1.159100    
 H    4.381900      -1.747400      -1.891000    
 H    5.327300      0.5727000      -1.960800    
 H    3.751600      0.4701000      -2.696400    
 H    3.923000       2.458400      -1.255000    
 H    4.177200       1.445500      0.1826000    
 H    6.524800      -1.684000     -0.6138000    
 H    6.303900      3.8100000E-02 -0.2889000    
 H    4.746400      -3.283500      0.1099000    
 H    4.653300      -2.553200       1.719000    
 H    7.711800     -0.6883000       1.398000    
 H    6.737000      -2.088100       1.807800    
 H    6.146600     -0.4468000       2.176800    
 H    2.578200      -3.560200       1.411400    
 H    2.339800      -2.917300     -0.2021000    
 H    2.270200      -1.834700       1.214200    


%chk=000029177-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000029177

0 1
O -6.369317 -1.048297 0.122102
O 2.216703 0.956090 -0.890295
O 2.092679 3.022328 0.182593
N -3.970632 0.741484 0.482463
N 5.034741 -1.189901 0.329206
C -2.749648 -0.854354 -0.658103
C -4.026903 -0.518141 -0.164582
C -2.477582 -2.142771 -1.390910
C -1.869369 0.229154 -0.312925
C -3.551324 -3.199621 -1.023450
C -2.662777 1.210131 0.400766
C -4.985349 -2.628709 -1.152718
C -5.218694 -1.350524 -0.332324
C -0.488270 0.462440 -0.526220
C -2.084792 2.410332 0.888200
C -5.100104 1.429858 1.126248
C 0.084706 1.654768 -0.038541
C -0.718523 2.617453 0.661094
C 4.175587 -1.319029 -0.876805
C 4.232065 -0.064502 -1.779578
C 1.528815 1.970786 -0.217105
C 3.682524 1.180418 -1.086789
C 6.455887 -1.533012 0.052985
C 4.480975 -1.894205 1.517937
C 7.443412 -0.862362 1.027458
C 3.304172 -1.137748 2.163806
H -1.465778 -2.521962 -1.152322
H -2.491932 -1.965665 -2.487442
H -3.387375 -3.535194 0.019048
H -3.446101 -4.088329 -1.673321
H -5.193241 -2.379394 -2.215115
H -5.746456 -3.367198 -0.844741
H 0.136278 -0.257693 -1.062268
H -2.672993 3.159279 1.427041
H -4.747939 2.390245 1.533881
H -5.908414 1.613468 0.400370
H -5.516291 0.815950 1.941200
H -0.223630 3.526907 1.016851
H 3.129768 -1.458303 -0.551477
H 4.447671 -2.220534 -1.479607
H 5.280037 0.144892 -2.072035
H 3.666582 -0.254517 -2.712762
H 3.814290 2.097508 -1.688648
H 4.151788 1.320270 -0.097359
H 6.614530 -2.642125 0.055834
H 6.690318 -1.190112 -0.972496
H 4.167041 -2.938311 1.261512
H 5.290909 -1.987323 2.263943
H 8.485149 -1.122969 0.761889
H 7.276051 -1.182139 2.071805
H 7.331058 0.235185 0.987742
H 2.924340 -1.690401 3.043551
H 2.462755 -1.004212 1.459882
H 3.631101 -0.134685 2.489433


