%chk=000050699.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050699

0 1
 O  -0.1770000     -0.4216000      4.9699999E-02
 O   -1.096200      -2.459100      0.6005000    
 N    3.528200     -0.5349000      0.1249000    
 N   -3.978500       2.747100      0.3595000    
 C    2.219000      0.1062000     -5.4800000E-02
 C    1.133100     -0.9498000      0.2198000    
 C    2.136600      0.6285000      -1.495700    
 C    2.097000       1.282900      0.9244000    
 C    4.598500      0.4155000     -0.1208000    
 C    5.956600     -0.2540000      7.3700003E-02
 C    7.095700      0.7270000     -0.1571000    
 C   -1.203300      -1.287600      0.2725000    
 C   -2.511300     -0.6174000      6.1400000E-02
 C   -2.616200      0.7358000      0.3106000    
 C   -3.582400      -1.369100     -0.3769000    
 C   -3.845300       1.364600      0.1129000    
 C   -4.811600     -0.7404000     -0.5747000    
 C   -4.943000      0.6266000     -0.3298000    
 H    1.229100      -1.325000       1.247700    
 H    1.260000      -1.798800     -0.4655000    
 H    3.607200     -0.9043000       1.072300    
 H    1.107400      0.9194000      -1.739200    
 H    2.425500     -0.1404000      -2.222200    
 H    2.740600       1.524000      -1.675900    
 H    2.709800       2.148200      0.6512000    
 H    1.065300       1.654100      0.9518000    
 H    2.352200      0.9852000       1.948300    
 H    4.591900      0.7965000      -1.146100    
 H    4.570600       1.266100      0.5664000    
 H    6.037300     -0.6579000       1.090500    
 H    6.063900      -1.097500     -0.6193000    
 H    7.069500       1.127800      -1.175400    
 H    7.041200       1.565600      0.5445000    
 H    8.059400      0.2281000     -1.4100000E-02
 H   -1.772300       1.319600      0.6687000    
 H   -3.491600      -2.433200     -0.5742000    
 H   -5.666100      -1.314800     -0.9203000    
 H   -5.906200       1.105000     -0.4882000    
 H   -3.183500       3.282900      0.6815000    
 H   -4.870000       3.202900      0.2174000    


%chk=000050699-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050699

0 1
O -0.147876 -0.320575 -0.068277
O -0.957550 -2.495740 0.121954
N 3.566157 -0.344825 0.075469
N -4.150537 2.730823 -0.265006
C 2.226490 0.320420 0.009422
C 1.235855 -0.865664 -0.059312
C 2.111096 1.157873 -1.285574
C 1.928600 1.203566 1.255186
C 4.781036 0.481407 -0.110324
C 6.045290 -0.387899 0.052118
C 7.346073 0.415725 -0.157781
C -1.179854 -1.262836 0.022936
C -2.530854 -0.629303 -0.010826
C -2.688050 0.772090 -0.123565
C -3.663152 -1.480868 0.072994
C -3.987891 1.348533 -0.154337
C -4.951357 -0.907855 0.042235
C -5.122000 0.487230 -0.069796
H 1.343547 -1.540121 0.811991
H 1.400906 -1.453584 -0.978682
H 3.643580 -0.901358 0.941033
H 1.060651 1.458002 -1.439820
H 2.438848 0.563408 -2.157265
H 2.724523 2.074882 -1.234285
H 2.673806 2.015389 1.343226
H 0.924560 1.658069 1.189082
H 1.965646 0.598801 2.181836
H 4.769837 0.905982 -1.131416
H 4.846378 1.344865 0.598845
H 6.050686 -0.841253 1.065833
H 5.988714 -1.225825 -0.668415
H 7.383435 0.852604 -1.173479
H 7.426410 1.246409 0.568836
H 8.236478 -0.226954 -0.035188
H -1.797800 1.405914 -0.186860
H -3.511795 -2.560590 0.158449
H -5.835250 -1.552209 0.105509
H -6.131361 0.916774 -0.092462
H -3.345356 3.346341 -0.327524
H -5.076815 3.146152 -0.286764


