%chk=000053498.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053498

0 1
 O    5.283800      -2.915900       1.439000    
 O    4.159300     -0.5214000     -0.7970000    
 O   -5.015500      -3.113600     -0.3543000    
 N  -0.1392000       1.108300     -8.7899998E-02
 C    5.412100      -2.322900      0.1547000    
 C    4.298100      -3.257000      0.4557000    
 C    5.151800     -0.8317000      0.1746000    
 C    1.949300      0.3971000     -0.4190000    
 C    1.172200       1.523800     -0.1422000    
 C  -0.2176000     -0.2387000     -0.3201000    
 C    3.346100      0.5469000     -0.5288000    
 C    1.059000     -0.7075000     -0.5290000    
 C   -1.231400       1.947900      0.1665000    
 C    1.724200       2.798100      3.0900000E-02
 C   -1.460000     -0.9827000     -0.3289000    
 C    3.912200       1.815300     -0.3581000    
 C    3.112000       2.922400     -8.2599998E-02
 C   -1.876100       2.563900     -0.8944000    
 C   -1.646000       2.146000       1.474000    
 C   -1.936500      -1.547300      0.8509000    
 C   -2.170300      -1.129200      -1.517100    
 C   -3.133000      -2.264100      0.8425000    
 C   -3.366900      -1.846100      -1.525500    
 C   -2.963800       3.399500     -0.6413000    
 C   -2.733700       2.981700       1.727000    
 C   -3.848200      -2.413600     -0.3457000    
 C   -3.392700       3.608500      0.6694000    
 C   -5.449400      -3.667800      0.8868000    
 H    6.207400      -2.638000     -0.5036000    
 H    3.299100      -2.868000      0.5999000    
 H    4.337900      -4.253800      3.5700001E-02
 H    6.077600     -0.3025000     -7.6600000E-02
 H    4.833400     -0.5153000       1.177000    
 H    1.328900      -1.734000     -0.7396000    
 H    1.110200       3.666400      0.2452000    
 H    4.987000       1.953700     -0.4467000    
 H    3.572500       3.898800      4.4599999E-02
 H   -1.551100       2.408900      -1.919800    
 H   -1.140600       1.663300       2.306300    
 H   -1.389500      -1.438700       1.784400    
 H   -1.808200     -0.6925000      -2.444600    
 H   -3.449100      -2.678100       1.793800    
 H   -3.919700      -1.959000      -2.454100    
 H   -3.476900       3.887500      -1.464900    
 H   -3.067800       3.144300       2.747600    
 H   -4.239700       4.259100      0.8665000    
 H   -5.660700      -2.886200       1.624500    
 H   -4.741600      -4.413900       1.263700    
 H   -6.392500      -4.190000      0.6954000    


%chk=000053498-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053498

0 1
O 7.331011 -2.415766 -0.466019
O 3.919753 -0.860892 -0.269597
O -5.156451 -3.485944 -0.640164
N -0.319646 1.031932 0.302196
C 5.865761 -2.165100 -0.738147
C 6.261766 -3.191352 0.274661
C 5.388431 -0.794479 -0.312860
C 1.815496 0.232895 0.049671
C 1.044423 1.394016 0.385975
C -0.405072 -0.338255 -0.088943
C 3.235129 0.324823 0.056066
C 0.895192 -0.832987 -0.243678
C -1.401562 1.973568 0.402964
C 1.642615 2.641495 0.682555
C -1.668393 -1.088625 -0.206759
C 3.849452 1.554449 0.370032
C 3.048612 2.695776 0.670609
C -2.312830 2.135155 -0.669640
C -1.541446 2.756916 1.575312
C -2.771805 -0.883195 0.663636
C -1.784508 -2.109859 -1.195932
C -3.950030 -1.652332 0.555258
C -2.946618 -2.888493 -1.310537
C -3.364909 3.069700 -0.560981
C -2.588304 3.699914 1.670748
C -4.039888 -2.660788 -0.436118
C -3.505630 3.857782 0.605675
C -6.311277 -3.291122 0.239622
H 5.526909 -2.502352 -1.725519
H 6.174775 -2.949417 1.341106
H 6.203019 -4.254751 0.015426
H 5.712667 -0.025306 -1.043235
H 5.799892 -0.536170 0.683585
H 1.154557 -1.863971 -0.472076
H 1.046299 3.530585 0.903447
H 4.938393 1.655729 0.384772
H 3.550074 3.642804 0.898460
H -2.191090 1.532502 -1.574815
H -0.843477 2.611426 2.406385
H -2.709329 -0.127164 1.452495
H -0.953087 -2.277186 -1.889281
H -4.775557 -1.463951 1.247892
H -3.036660 -3.668829 -2.072265
H -4.068711 3.188408 -1.392040
H -2.691550 4.303333 2.579362
H -4.319916 4.586368 0.683260
H -6.726961 -2.269415 0.139299
H -6.047883 -3.481378 1.298406
H -7.055236 -4.028600 -0.095467


