%chk=000030822.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030822

0 1
 O   -4.264400      0.5221000      0.9092000    
 O   -5.286300      -1.371700       1.683100    
 N  -0.1581000       1.118100     -3.9500002E-02
 N   -5.325400     -0.7749000     -0.5755000    
 C   -3.945300       1.052500     -0.3928000    
 C   -2.488300      0.7399000     -0.7041000    
 C   -1.549700       1.415800      0.2923000    
 C   0.7625000       1.850200      0.8353000    
 C   -4.914200      0.3678000      -1.336000    
 C   9.6400000E-02 -0.3290000      3.3199999E-02
 C    2.208100       1.647900      0.3568000    
 C    2.543500      0.1986000      8.6400002E-02
 C    1.552300     -0.7008000     -5.8100000E-02
 C   -4.993300     -0.6325000      0.7537000    
 C    3.971700     -0.1853000     -1.7999999E-02
 C   -6.148400      -1.819000      -1.146000    
 C    4.381000      -1.469600      0.3481000    
 C    4.913300      0.7357000     -0.4830000    
 C    5.724700      -1.830900      0.2502000    
 C    6.257100      0.3742000     -0.5810000    
 C    6.662600     -0.9091000     -0.2144000    
 H   -4.111000       2.135500     -0.3875000    
 H   -2.250600       1.066100      -1.724300    
 H   -2.374300     -0.3488000     -0.6669000    
 H   -1.780600       1.103700       1.318800    
 H   -1.713800       2.499600      0.2400000    
 H   0.6597000       1.521300       1.878300    
 H   0.5436000       2.924800      0.8108000    
 H   -5.799400      0.9875000      -1.514900    
 H   -4.474000      7.4299999E-02  -2.293300    
 H  -0.3810000     -0.8295000     -0.8161000    
 H  -0.3064000     -0.7641000      0.9570000    
 H    2.876800       2.057300       1.124100    
 H    2.361100       2.228700     -0.5622000    
 H    1.752400      -1.749000     -0.2597000    
 H   -5.630000      -2.248200      -2.007200    
 H   -7.098900      -1.382800      -1.464900    
 H   -6.339000      -2.598600     -0.4039000    
 H    3.686500      -2.209200      0.7372000    
 H    4.632000       1.739900     -0.7875000    
 H    6.042000      -2.828300      0.5407000    
 H    6.987500       1.091000     -0.9448000    
 H    7.709000      -1.190200     -0.2899000    


%chk=000030822-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000030822

0 1
O -4.405888 0.481689 0.919047
O -5.776639 -1.286079 1.650548
N -0.126042 0.920799 0.031281
N -5.615215 -0.668472 -0.636511
C -3.974017 1.014606 -0.416813
C -2.515630 0.618340 -0.680850
C -1.543400 1.202296 0.364810
C 0.820563 1.758426 0.807670
C -4.988182 0.394578 -1.429764
C 0.209792 -0.517788 0.149019
C 2.245243 1.628860 0.238523
C 2.662729 0.167158 0.108379
C 1.694046 -0.794329 0.080548
C -5.330537 -0.584226 0.721983
C 4.114989 -0.153856 0.000013
C -6.595346 -1.605057 -1.177135
C 4.631331 -1.437535 0.343051
C 5.040792 0.830635 -0.448969
C 6.004492 -1.729577 0.220070
C 6.417037 0.540155 -0.573218
C 6.908137 -0.742822 -0.242564
H -4.077467 2.111637 -0.348728
H -2.219065 0.989871 -1.682281
H -2.453932 -0.486787 -0.705004
H -1.825704 0.820241 1.376930
H -1.667468 2.303382 0.386247
H 0.829312 1.478292 1.892636
H 0.484792 2.810118 0.742308
H -5.738785 1.134139 -1.775729
H -4.468336 -0.015366 -2.316283
H -0.290391 -1.074013 -0.668760
H -0.193133 -0.951936 1.106332
H 2.951401 2.169197 0.899090
H 2.283039 2.123538 -0.752652
H 1.963898 -1.852497 -0.029842
H -6.151957 -2.231255 -1.974034
H -7.475610 -1.075070 -1.591769
H -6.930090 -2.257323 -0.353936
H 3.955237 -2.205355 0.735620
H 4.681267 1.829127 -0.720036
H 6.374674 -2.723335 0.497342
H 7.105173 1.315482 -0.929111
H 7.976291 -0.968887 -0.333760


