%chk=000060335.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060335

2 1
 O    1.381300     -0.9892000     -0.2023000    
 O   -1.387100     -0.9884000      0.2043000    
 N    4.826900      0.3680000      0.2587000    
 N   -4.797900      0.3637000     -0.2477000    
 C    3.389800      0.3247000     -0.2404000    
 C   -3.396100      0.3235000      0.2399000    
 C    5.362800       1.787400      0.1397000    
 C   -5.370400       1.783700     -0.1433000    
 C    5.683400     -0.5698000     -0.5798000    
 C    4.871500     -7.0600003E-02   1.715400    
 C   -4.876600     -7.6099999E-02  -1.715900    
 C   -5.689100     -0.5726000      0.5797000    
 C    2.713300     -0.9242000      0.2898000    
 C   -2.718300     -0.9254000     -0.2881000    
 C    5.316100       2.217700      -1.310200    
 C   -5.304900       2.242800       1.297000    
 C   0.7067000      -2.147300      0.2705000    
 C  -0.7113000      -2.147900     -0.2672000    
 H    3.374600      0.3363000      -1.335700    
 H    2.866000       1.216900      0.1242000    
 H   -3.373800      0.3378000       1.335600    
 H   -2.865100       1.212500     -0.1229000    
 H    4.743900       2.436200      0.7697000    
 H    6.390400       1.796600      0.5203000    
 H   -4.771800       2.430800     -0.7943000    
 H   -6.403500       1.765100     -0.5082000    
 H    5.445900      -1.603700     -0.3127000    
 H    5.476000     -0.4223000      -1.642700    
 H    6.736300     -0.3740000     -0.3544000    
 H    5.876500      0.1445000       2.094800    
 H    4.706900      -1.148500       1.800100    
 H    4.141000      0.5118000       2.285500    
 H   -4.153500      0.5058000      -2.295500    
 H   -4.712800      -1.153900      -1.801300    
 H   -5.888700      0.1413000      -2.074500    
 H   -5.501100     -0.4169000       1.644800    
 H   -6.735000     -0.3716000      0.3287000    
 H   -5.446900      -1.607700      0.3222000    
 H    2.629600     -0.9120000       1.380300    
 H    3.242500      -1.830100     -2.4000000E-02
 H   -2.634000     -0.9147000      -1.378900    
 H   -3.246200      -1.831900      2.6500000E-02
 H    5.965200       1.626500      -1.961100    
 H    4.307400       2.238700      -1.730000    
 H    5.688100       3.247400      -1.376000    
 H   -5.922200       1.645300       1.972100    
 H   -4.286700       2.292500       1.691500    
 H   -5.700000       3.264300       1.353900    
 H   0.6836000      -2.126300       1.366300    
 H    1.232300      -3.048300     -6.4499997E-02
 H  -0.6884000      -2.128200      -1.363100    
 H   -1.236900      -3.048400      6.9200002E-02


%chk=000060335-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060335

2 1
O 1.535143 -0.920646 -0.057574
O -1.537882 -0.921828 0.064616
N 5.067109 0.364229 0.323526
N -5.069195 0.361850 -0.327249
C 3.567109 0.258159 -0.013212
C -3.569708 0.257320 0.011875
C 5.619530 1.720245 -0.226246
C -5.621469 1.722078 0.212260
C 5.852406 -0.797392 -0.286235
C 5.278687 0.370597 1.838843
C -5.279614 0.357494 -1.842743
C -5.855891 -0.794737 0.290346
C 2.824843 -0.928128 0.630443
C -2.826335 -0.931624 -0.625681
C 5.492686 1.921003 -1.738597
C -5.496872 1.932753 1.723490
C 0.629108 -1.980505 0.431692
C -0.630765 -1.982713 -0.420429
H 3.478815 0.166593 -1.107179
H 3.097478 1.206213 0.298823
H -3.482860 0.170485 1.106354
H -3.099636 1.204051 -0.303414
H 5.073510 2.506165 0.324537
H 6.678030 1.750845 0.086091
H -5.073933 2.503811 -0.342966
H -6.679472 1.751335 -0.101914
H 5.568176 -1.735209 0.212277
H 5.631473 -0.866137 -1.360448
H 6.927760 -0.615864 -0.136776
H 6.344469 0.550094 2.047732
H 4.984783 -0.601508 2.260395
H 4.673145 1.174276 2.285046
H -4.671252 1.155975 -2.294407
H -4.988556 -0.618675 -2.256787
H -6.344677 0.538795 -2.053693
H -5.639655 -0.852491 1.366159
H -6.930768 -0.616055 0.134209
H -5.568178 -1.737023 -0.197585
H 2.686914 -0.790446 1.723446
H 3.349996 -1.893658 0.457984
H -2.686236 -0.798266 -1.718949
H -3.352002 -1.896417 -0.450554
H 6.044971 1.168250 -2.324988
H 4.447618 1.960697 -2.085868
H 5.944369 2.899889 -1.978709
H -6.052164 1.185299 2.313798
H -4.452352 1.972069 2.072503
H -5.946492 2.914384 1.956170
H 0.369697 -1.806644 1.495869
H 1.132265 -2.966108 0.338129
H -0.371382 -1.812675 -1.485241
H -1.133045 -2.968406 -0.323170


