%chk=000063877.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063877

0 1
 O  -0.8384000       1.715000       1.052500    
 O    7.683800      0.4320000     -0.6562000    
 N  -0.5254000     -0.5748000      0.7463000    
 N    1.756300     -0.3024000      0.2118000    
 N    4.034900      1.2800000E-02 -0.4153000    
 N   -2.241900      -1.920900     -0.1997000    
 C   0.8204000     -0.5465000       1.297600    
 C    3.129700     -0.2285000      0.7072000    
 C   -2.606100      0.4906000      0.1039000    
 C   -1.247300      0.6198000      0.6788000    
 C   -3.045800     -0.7739000     -0.3106000    
 C   -1.062200      -1.770700      0.3055000    
 C    5.419000      8.9199997E-02  3.2900002E-02
 C   -3.431700       1.612800     -2.0199999E-02
 C   -4.329900     -0.8966000     -0.8527000    
 C    6.349900      0.3482000      -1.140800    
 C   -4.708300       1.473100     -0.5628000    
 C   -5.157100      0.2208000     -0.9782000    
 H   0.8865000      0.2387000       2.059400    
 H    1.028400      -1.513300       1.770000    
 H    3.395100      -1.171000       1.200800    
 H    3.217700      0.5869000       1.435000    
 H    1.521100      0.5780000     -0.2447000    
 H    3.934000     -0.7412000      -1.094000    
 H    5.720500     -0.8398000      0.5332000    
 H    5.542400      0.8943000      0.7681000    
 H  -0.3909000      -2.637300      0.4116000    
 H   -3.100000       2.597100      0.2981000    
 H   -4.695000      -1.866700      -1.181700    
 H    6.103100       1.291700      -1.639100    
 H    6.298100     -0.4645000      -1.873100    
 H   -5.353800       2.341000     -0.6616000    
 H   -6.152100      0.1138000      -1.400600    
 H    8.256400      0.5978000      -1.424400    


%chk=000063877-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063877

0 1
O -0.602567 1.994465 1.520006
O 5.124853 -0.169383 -2.745037
N -0.086955 -0.285905 1.667135
N 2.069094 0.719428 2.478220
N 2.941397 0.095660 0.258208
N -1.008751 -1.955633 0.182503
C 0.856607 0.033645 2.829224
C 3.115031 0.025677 1.729366
C -1.638099 0.444782 -0.062930
C -0.770908 0.819216 1.070503
C -1.725696 -0.929065 -0.471635
C -0.246021 -1.588352 1.198202
C 4.128207 -0.238198 -0.558492
C -2.382129 1.440284 -0.748910
C -2.562555 -1.275453 -1.568475
C 3.923910 0.243519 -1.999901
C -3.204872 1.081885 -1.829101
C -3.293005 -0.279917 -2.237626
H 0.271334 0.658613 3.521636
H 1.085607 -0.938003 3.302457
H 3.159908 -1.017727 2.128564
H 4.092100 0.495883 1.950626
H 1.931225 1.699530 2.211831
H 2.092776 -0.390371 -0.061813
H 4.378394 -1.324492 -0.582238
H 5.004257 0.285531 -0.131492
H 0.320601 -2.357645 1.736491
H -2.292280 2.478191 -0.411764
H -2.615637 -2.327963 -1.862542
H 3.792553 1.344465 -2.004816
H 3.010072 -0.222551 -2.431674
H -3.779934 1.848179 -2.359447
H -3.937227 -0.552699 -3.080749
H 5.060110 0.149904 -3.679331


