%chk=000050630.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050630

0 1
 O    1.258100       2.135900      0.7561000    
 O   0.7787000      -2.064500      0.2078000    
 O   -3.422300       1.478000     -0.2379000    
 N    3.630500      0.8869000     -0.4142000    
 C    1.327900      0.7149000      0.5735000    
 C  -7.1999997E-02  0.1752000      0.2624000    
 C    2.258100      0.4318000     -0.6297000    
 C    1.867800      0.1262000       1.888600    
 C  -0.2511000      -1.178800      0.1007000    
 C   -1.101700       1.081900      0.1564000    
 C   -2.382300      0.6070000     -0.1272000    
 C   -1.531800      -1.653400     -0.1827000    
 C   -2.597300     -0.7606000     -0.2967000    
 C    4.473000      0.5387000      -1.548000    
 C   0.4691000      -3.443800      1.9600000E-02
 C   -4.704800      0.9245000     -0.5286000    
 H    1.858500      0.9558000      -1.508800    
 H    2.285900     -0.6334000     -0.8764000    
 H    2.735800      0.6905000       2.249600    
 H    2.167200     -0.9219000       1.806800    
 H    1.115200      0.2024000       2.683300    
 H  -0.9735000       2.152200      0.2787000    
 H    4.012600      0.4482000      0.4224000    
 H    2.166600       2.467700      0.8585000    
 H   -1.773200      -2.700900     -0.3269000    
 H   -3.565800      -1.195800     -0.5184000    
 H    5.489400      0.9042000      -1.371600    
 H    4.112500       1.006300      -2.470000    
 H    4.527900     -0.5451000      -1.693400    
 H   0.1102000      -3.642300     -0.9961000    
 H  -0.2212000      -3.811300      0.7865000    
 H    1.403400      -4.002100      0.1403000    
 H   -4.718300      0.4321000      -1.506900    
 H   -5.412300       1.758400     -0.5810000    
 H   -5.049100      0.2632000      0.2738000    


%chk=000050630-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050630

0 1
O 1.401344 1.958828 0.618488
O 0.726710 -2.302910 0.290172
O -3.296796 1.608575 -0.313521
N 3.618482 0.952999 -0.398666
C 1.401780 0.488085 0.615184
C -0.015773 0.004124 0.277181
C 2.424797 0.067800 -0.500721
C 1.837367 -0.007603 2.019663
C -0.339743 -1.381008 0.129283
C -1.044562 0.948970 0.118845
C -2.371613 0.553739 -0.181157
C -1.660359 -1.777837 -0.167210
C -2.686293 -0.814428 -0.324261
C 4.348379 1.187388 -1.664258
C 0.412126 -3.724249 0.160453
C -4.680857 1.246201 -0.610937
H 1.958790 0.259674 -1.484313
H 2.654728 -1.011878 -0.429186
H 2.860077 0.345220 2.253138
H 1.808292 -1.108194 2.084874
H 1.158159 0.419794 2.776363
H -0.798661 2.007198 0.230675
H 4.252049 0.648613 0.352467
H 2.343040 2.167362 0.301896
H -1.913317 -2.835774 -0.283298
H -3.701920 -1.149684 -0.553967
H 5.206615 1.857184 -1.477927
H 3.677796 1.689595 -2.383859
H 4.729192 0.257538 -2.144438
H 0.030453 -3.964441 -0.851716
H -0.328958 -4.046214 0.918493
H 1.364859 -4.248635 0.329683
H -4.762731 0.714309 -1.580201
H -5.224616 2.200968 -0.667299
H -5.117138 0.616792 0.190578


