%chk=000049076.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049076

0 1
 O  -0.9589000      -1.263900      0.3801000    
 O   -1.764600      -1.756600      -1.709800    
 N    2.353600     -0.2405000      0.5437000    
 C    2.808900       1.160400      0.7182000    
 C    3.587600       1.650200     -0.5367000    
 C    4.767300      0.7093000     -0.8222000    
 C    3.499400      -1.140700      0.3198000    
 C    4.314400     -0.7422000     -0.9084000    
 C    1.575700     -0.7308000       1.685100    
 C    1.660200       2.129100       1.043300    
 C    2.705600       1.809500      -1.783600    
 C    1.032000      -2.126000       1.394900    
 C   0.1429000      -2.133400      0.1588000    
 C   -1.864800      -1.154400     -0.6458000    
 C   -2.948900     -0.2338000     -0.3004000    
 C   -4.214300     -0.4267000     -0.8429000    
 C   -2.703000      0.8243000      0.5672000    
 C   -5.247700      0.4504000     -0.5137000    
 C   -3.736500       1.701400      0.8965000    
 C   -5.008800       1.514300      0.3560000    
 H    3.503700       1.200100       1.570200    
 H    4.009800       2.639800     -0.3146000    
 H    5.503500      0.8053000     -1.3600000E-02
 H    5.280100      0.9977000      -1.747100    
 H    3.187700      -2.168200      0.1182000    
 H    4.153600      -1.163500       1.201600    
 H    3.719000     -0.8968000      -1.816300    
 H    5.191900      -1.393700     -0.9947000    
 H    2.183800     -0.7544000       2.598400    
 H   0.7197000     -8.1000000E-02   1.892600    
 H   0.8115000       1.997600      0.3633000    
 H    1.299300       1.993500       2.068100    
 H    1.996100       3.169200      0.9667000    
 H    1.969600       2.607600      -1.644400    
 H    3.312800       2.081900      -2.653700    
 H    2.161600      0.8917000      -2.026900    
 H    1.805400      -2.896000       1.332000    
 H   0.4152000      -2.410800       2.258500    
 H  -0.2351000      -3.151000      3.5999999E-03
 H   0.6915000      -1.830700     -0.7399000    
 H   -4.416200      -1.252700      -1.519600    
 H   -1.719400       1.001600      0.9931000    
 H   -6.238500      0.3046000     -0.9340000    
 H   -3.550200       2.531700       1.571300    
 H   -5.813300       2.197600      0.6119000    


%chk=000049076-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049076

0 1
O -1.000032 -1.213167 0.461610
O -1.877719 -1.646586 -1.653168
N 2.561374 -0.302150 0.587474
C 2.793560 1.180369 0.578365
C 3.525226 1.591143 -0.741694
C 4.866084 0.819037 -0.856223
C 3.853382 -1.039061 0.524492
C 4.640969 -0.703914 -0.754902
C 1.705525 -0.802996 1.692968
C 1.492552 1.991879 0.761650
C 2.640520 1.410507 -1.998379
C 1.045641 -2.165268 1.368426
C 0.150949 -2.110783 0.131948
C -1.954233 -1.057003 -0.545240
C -3.051477 -0.124894 -0.147778
C -4.095819 0.104924 -1.080845
C -3.073356 0.526876 1.112711
C -5.153402 0.978897 -0.756541
C -4.133652 1.401397 1.432858
C -5.174343 1.628905 0.500869
H 3.489658 1.450113 1.420269
H 3.764452 2.671010 -0.640343
H 5.538301 1.137250 -0.031580
H 5.374898 1.077164 -1.805088
H 3.647474 -2.123931 0.560524
H 4.486944 -0.795375 1.420052
H 4.078139 -1.067889 -1.634513
H 5.610676 -1.238437 -0.739247
H 2.278187 -0.895401 2.651024
H 0.893334 -0.081099 1.867529
H 0.683702 1.595920 0.122214
H 1.137441 1.998497 1.807188
H 1.673597 3.043833 0.474015
H 1.784185 2.108485 -1.996608
H 3.226770 1.604495 -2.916230
H 2.235346 0.385402 -2.053235
H 1.813102 -2.944508 1.195285
H 0.451922 -2.492903 2.243593
H -0.251571 -3.101082 -0.146682
H 0.689510 -1.677590 -0.728801
H -4.055609 -0.409392 -2.046762
H -2.263602 0.340100 1.823693
H -5.958374 1.154538 -1.478351
H -4.150725 1.905126 2.405525
H -5.996304 2.308560 0.752728


