%chk=000086124.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086124

0 1
 O    5.244900      -1.760300     -0.6065000    
 O   -4.524800      0.2914000      -1.493000    
 O   -2.360400       1.054700      -1.670200    
 N   -1.095700      0.7484000      0.7640000    
 C   0.7004000       2.352700       1.325300    
 C    1.389200       2.321600     -5.6600001E-02
 C  -2.1500001E-02   1.041600       1.683100    
 C  -0.2557000       3.549000       1.401500    
 C    2.420600       1.229500     -0.2033000    
 C   -1.870700     -0.3985000      0.8276000    
 C    3.738300       1.489100      0.1383000    
 C    2.031100     -1.3000000E-02 -0.6778000    
 C   -2.909700     -0.6454000     -9.1399997E-02
 C    4.691400      0.4798000      1.7000000E-03
 C    2.984300      -1.022300     -0.8143000    
 C   -1.630200      -1.358000       1.829900    
 C    4.314400     -0.7760000     -0.4746000    
 C   -3.677900      -1.806900     -1.0600000E-02
 C   -2.398200      -2.519600       1.910800    
 C   -3.422100      -2.744100      0.9905000    
 C   -3.202100      0.3142000      -1.149000    
 C    4.791800      -3.020400      -1.099200    
 C   -4.937300       1.192500      -2.526200    
 H    1.476400       2.507100       2.087800    
 H    1.874500       3.290000     -0.2407000    
 H   0.6448000       2.225200     -0.8580000    
 H  -0.4309000       1.144400       2.696600    
 H   0.7027000      0.2208000       1.719200    
 H   0.2972000       4.487200       1.281900    
 H  -0.7592000       3.584200       2.373400    
 H   -1.022000       3.516600      0.6206000    
 H   -1.295000       1.411500      2.5500000E-02
 H    4.041200       2.462900      0.5122000    
 H    1.001600     -0.2144000     -0.9580000    
 H    5.726000      0.6774000      0.2687000    
 H    2.623600      -1.972900      -1.192200    
 H  -0.8468000      -1.228100       2.571600    
 H   -4.473300      -2.020300     -0.7200000    
 H   -2.199400      -3.249800       2.689900    
 H   -4.017800      -3.650100       1.051800    
 H    5.662100      -3.683500      -1.139800    
 H    4.069300      -3.482500     -0.4179000    
 H    4.405000      -2.937500      -2.120600    
 H   -6.010500       1.059200      -2.685800    
 H   -4.751800       2.226500      -2.220900    
 H   -4.411100      0.9641000      -3.457700    


%chk=000086124-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086124

0 1
O 5.358748 -1.803023 -0.566150
O -4.492658 0.120790 -1.740801
O -2.767880 1.556212 -1.138136
N -1.153555 0.783840 0.860548
C 0.698136 2.392881 1.312814
C 1.322544 2.305978 -0.118023
C -0.011594 1.081500 1.732149
C -0.231310 3.625813 1.428654
C 2.365364 1.209137 -0.269688
C -1.922430 -0.354812 0.943175
C 3.691395 1.392963 0.211622
C 2.048763 -0.033604 -0.868346
C -3.048082 -0.562269 0.050010
C 4.660193 0.379081 0.101698
C 3.006659 -1.067760 -0.989300
C -1.640035 -1.374962 1.911949
C 4.319146 -0.858363 -0.500741
C -3.820954 -1.753739 0.155531
C -2.422778 -2.535424 1.986154
C -3.522230 -2.739293 1.107628
C -3.385141 0.455148 -0.953641
C 5.058063 -3.090794 -1.193514
C -4.872346 1.119741 -2.762893
H 1.532932 2.521229 2.032429
H 1.776469 3.292091 -0.340059
H 0.510673 2.161987 -0.856825
H -0.346571 1.176267 2.788431
H 0.720200 0.248689 1.694755
H 0.338001 4.558257 1.258775
H -0.693642 3.685543 2.431212
H -1.047452 3.598535 0.682645
H -1.457185 1.467380 0.150479
H 3.971049 2.350160 0.670027
H 1.032975 -0.201464 -1.247021
H 5.683056 0.520950 0.464311
H 2.720724 -2.013346 -1.459711
H -0.801717 -1.242393 2.601118
H -4.661914 -1.878498 -0.532217
H -2.179213 -3.295581 2.738007
H -4.126835 -3.648761 1.175773
H 5.996072 -3.662929 -1.140737
H 4.260536 -3.630797 -0.646179
H 4.757587 -2.963781 -2.252197
H -5.746734 0.683770 -3.266702
H -5.126896 2.081594 -2.286411
H -4.043433 1.280055 -3.473004


