%chk=000039650.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039650

0 1
 O    1.054500      0.5748000     -0.8071000    
 O   -1.743200       2.323500      -1.401200    
 N   -1.912100      0.3123000     -0.2659000    
 N  -0.1262000      -2.916500      0.3934000    
 C   -1.297200     -0.7731000      0.5134000    
 C  -0.7558000      -1.866200     -0.3962000    
 C   -3.306900      0.1593000     -0.5749000    
 C   -4.209200      0.7916000      0.4795000    
 C  -4.9800001E-02  -4.162600     -0.3719000    
 C    1.210600      -2.505500      0.8273000    
 C   -1.196500       1.446800     -0.7288000    
 C   -5.696200      0.6070000      0.1682000    
 C   0.2194000       1.559900     -0.3852000    
 C   0.8195000      -3.996100      -1.606700    
 C    1.851900      -3.564600       1.707700    
 C   -6.570300       1.194000       1.265500    
 C   0.9122000       2.517700      0.3186000    
 C    2.268800       2.099200      0.3354000    
 C    2.303400      0.9006000     -0.3697000    
 C    3.469700       2.600300      0.8677000    
 C    3.460500      0.1546000     -0.5867000    
 C    4.650100       1.871800      0.6662000    
 C    4.642900      0.6712000     -4.8599999E-02
 H  -0.5185000     -0.3375000       1.144200    
 H   -2.052200      -1.178000       1.199000    
 H  -9.0999998E-02  -1.456600      -1.161900    
 H   -1.613900      -2.278100     -0.9447000    
 H   -3.511300      0.6294000      -1.544300    
 H   -3.539800     -0.9055000     -0.6911000    
 H   -3.983500       1.862200      0.5634000    
 H   -3.987600      0.3526000       1.460500    
 H   0.3020000      -5.000400      0.2393000    
 H   -1.060100      -4.460100     -0.6818000    
 H    1.879400      -2.243700      3.1000001E-03
 H    1.134600      -1.607300       1.449600    
 H   -5.923500     -0.4599000      6.0800001E-02
 H   -5.937900       1.089000     -0.7861000    
 H   0.4766000      -3.209600      -2.284400    
 H    1.876300      -3.835200      -1.377300    
 H   0.7799000      -4.927400      -2.185200    
 H    1.170400      -3.903800       2.495300    
 H    2.196800      -4.433300       1.139000    
 H    2.735000      -3.143500       2.201600    
 H   -6.387200       2.267100       1.380500    
 H   -7.628300       1.053800       1.022700    
 H   -6.374800      0.7067000       2.226000    
 H   0.4943000       3.408700      0.7664000    
 H    3.490700       3.531900       1.425000    
 H    3.449900     -0.7720000      -1.147800    
 H    5.585500       2.248300       1.072400    
 H    5.574400      0.1286000     -0.1907000    


%chk=000039650-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039650

0 1
O 1.225312 0.635334 0.057202
O -1.773946 2.547845 -0.878545
N -1.757235 0.322338 -0.191424
N -0.146830 -3.127191 0.146191
C -1.173287 -0.869727 0.466291
C -0.646882 -1.918669 -0.550257
C -3.197800 0.241303 -0.545765
C -4.124441 0.716816 0.597357
C -0.436634 -4.399598 -0.562051
C 1.248801 -2.974808 0.633399
C -1.129818 1.537619 -0.424163
C -5.618206 0.583402 0.225032
C 0.322205 1.729413 -0.156767
C 0.312960 -4.628246 -1.904062
C 1.659415 -4.048268 1.658267
C -6.555380 1.062092 1.354732
C 1.011000 2.931389 -0.141505
C 2.408649 2.634382 0.095519
C 2.502051 1.214616 0.208939
C 3.593424 3.406116 0.222130
C 3.698390 0.519549 0.435492
C 4.809575 2.731635 0.452788
C 4.863331 1.310373 0.557649
H -0.364522 -0.565965 1.146906
H -1.960143 -1.345540 1.079576
H 0.126796 -1.436749 -1.190308
H -1.481469 -2.213554 -1.215070
H -3.367836 0.870552 -1.436748
H -3.423114 -0.810544 -0.807415
H -3.887367 1.773292 0.823308
H -3.917803 0.129046 1.515375
H -0.217043 -5.236872 0.125841
H -1.527966 -4.431625 -0.745949
H 1.985547 -2.963422 -0.210705
H 1.320044 -1.981275 1.112651
H -5.845767 -0.474345 -0.022220
H -5.817730 1.170476 -0.694250
H 0.097880 -3.819984 -2.627125
H 1.407591 -4.673428 -1.758205
H -0.005025 -5.584669 -2.359604
H 0.930605 -4.084103 2.487386
H 1.720545 -5.055630 1.208340
H 2.655468 -3.812794 2.076851
H -6.367062 2.124135 1.599159
H -7.618297 0.964257 1.066954
H -6.398991 0.472495 2.277825
H 0.544113 3.900907 -0.296571
H 3.564283 4.497549 0.141772
H 3.725495 -0.571227 0.510041
H 5.736419 3.306513 0.553600
H 5.826999 0.821188 0.735633


