%chk=000052489.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052489

0 1
 O   -5.285300       2.336200      2.5500000E-02
 O    5.649700     -3.2299999E-02   1.760400    
 N   0.3203000     -0.9077000     -5.4699998E-02
 N    1.083700     -0.5820000      -1.139600    
 C   -2.081100     -0.2436000     -0.1415000    
 C   -1.028100      -1.176500     -0.2103000    
 C    2.307300     -0.6012000      0.7560000    
 C   -3.404700     -0.7214000     -0.3316000    
 C    1.026800     -0.9321000       1.127500    
 C    2.303600     -0.3960000     -0.6254000    
 C   -1.856100       1.201500      0.1196000    
 C    3.353700     -0.5115000       1.661600    
 C   -4.521700      0.1343000     -0.2810000    
 C   -3.638500      -2.100600     -0.5820000    
 C    3.551000     -3.1900000E-02  -1.272500    
 C   -2.949500       2.088400      0.1774000    
 C   -1.263300      -2.528800     -0.4565000    
 C    4.709900      9.4099998E-02 -0.4484000    
 C   -4.325000       1.577600     -2.3000000E-02
 C   -2.559900      -2.988300     -0.6413000    
 C    4.656500     -0.1411000       1.054900    
 C   0.7084000      -1.199500       2.458200    
 C    3.081500     -0.7699000       3.001400    
 C   -5.823300     -0.3479000     -0.4699000    
 C   -4.947600      -2.570800     -0.7694000    
 C  -0.5786000       1.760400      0.3200000    
 C    1.771000      -1.109100       3.385200    
 C    3.639700      0.1916000      -2.646700    
 C   -2.775200       3.459900      0.4219000    
 C   -6.032200      -1.700000     -0.7136000    
 C    5.931900      0.4427000      -1.028400    
 C  -0.4016000       3.127000      0.5645000    
 C   -1.499000       3.975900      0.6153000    
 C    4.869300      0.5390000      -3.208200    
 C    6.006300      0.6635000      -2.405400    
 H  -0.4477000      -3.247900     -0.5101000    
 H   -2.719200      -4.047400     -0.8320000    
 H  -0.2944000      -1.461500       2.774500    
 H    3.863900     -0.7135000       3.752200    
 H   -6.683900      0.3142000     -0.4306000    
 H   -5.135400      -3.625400     -0.9617000    
 H   0.3606000       1.261500      0.2966000    
 H    1.566200      -1.309600       4.435100    
 H    2.770000      0.1010000      -3.291700    
 H   -3.622700       4.138900      0.4649000    
 H   -7.039900      -2.077200     -0.8604000    
 H    6.832800      0.5471000     -0.4305000    
 H   0.5982000       3.526700      0.7113000    
 H   -1.361300       5.036100      0.8038000    
 H    4.943600      0.7141000      -4.278000    
 H    6.956800      0.9347000      -2.857000    


%chk=000052489-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052489

0 1
O -5.418001 1.553425 1.725159
O 5.670655 0.262345 1.904500
N 0.347836 -0.575506 -0.430774
N 1.337049 -0.694502 -1.442707
C -2.112507 -0.146748 -0.278804
C -1.008823 -0.916034 -0.733813
C 2.315191 -0.233638 0.583047
C -3.420948 -0.764120 -0.370525
C 0.925822 -0.315731 0.831872
C 2.523216 -0.465147 -0.806528
C -2.029195 1.245618 0.233427
C 3.285965 0.006623 1.571052
C -4.571216 -0.170828 0.257345
C -3.600202 -2.013234 -1.077460
C 3.884543 -0.436337 -1.328986
C -3.150876 1.816882 0.920615
C -1.190736 -2.129379 -1.469380
C 4.938525 -0.181901 -0.376242
C -4.447227 1.092345 1.036089
C -2.461563 -2.652690 -1.667334
C 4.703172 0.047366 1.104733
C 0.445641 -0.157055 2.152428
C 2.814924 0.168309 2.892823
C -5.833156 -0.787860 0.167974
C -4.901838 -2.598999 -1.168314
C -0.904812 2.092080 0.001156
C 1.415614 0.080999 3.159607
C 4.202766 -0.641293 -2.695405
C -3.088940 3.137268 1.437948
C -6.006607 -1.996128 -0.554575
C 6.279359 -0.144360 -0.836850
C -0.864502 3.408831 0.494875
C -1.947399 3.931695 1.245293
C 5.542857 -0.598657 -3.126300
C 6.584335 -0.349560 -2.195765
H -0.298253 -2.633167 -1.849046
H -2.598055 -3.581996 -2.231031
H -0.617678 -0.206903 2.400902
H 3.526292 0.355518 3.703082
H -6.672016 -0.303899 0.678777
H -5.017308 -3.538762 -1.720807
H -0.065277 1.733978 -0.596762
H 1.069359 0.207146 4.191111
H 3.391378 -0.830075 -3.405480
H -3.971724 3.513927 1.964385
H -6.997623 -2.455532 -0.624003
H 7.065289 0.049064 -0.099409
H 0.013182 4.031645 0.290826
H -1.905011 4.951099 1.642506
H 5.781118 -0.757676 -4.183586
H 7.624906 -0.316744 -2.535246


