%chk=000022650.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022650

0 1
 O   -6.412600       1.194300     -0.3010000    
 O   -6.596100      -1.064300     -0.1227000    
 N    5.835100      2.4499999E-02  0.1268000    
 N   0.2796000     -6.3000001E-02 -0.5577000    
 N  -0.2895000      3.6400001E-02  0.5547000    
 C    4.436000      2.7000001E-03 -4.7400001E-02
 C    3.749300      -1.211200     -2.2900000E-02
 C    3.738500       1.194700     -0.2423000    
 C    1.674500     -4.0899999E-02 -0.3874000    
 C    2.365000      -1.233000     -0.1934000    
 C    2.354200       1.173000     -0.4127000    
 C    6.483000       1.176000      0.7231000    
 C    6.645900      -1.098300     -0.3010000    
 C   -1.677500      1.4500000E-02  0.3857000    
 C   -4.446700     -2.8000001E-02  5.0900001E-02
 C   -2.364700      -1.199100      0.4116000    
 C   -2.375000       1.206800      0.1924000    
 C   -3.749300      -1.220300      0.2441000    
 C   -3.759500       1.185700      2.5000000E-02
 C   -5.890100     -5.0500002E-02 -0.1260000    
 H    4.260300      -2.156000      0.1388000    
 H    4.243600       2.155600     -0.2786000    
 H    1.837100      -2.182700     -0.1709000    
 H    1.818400       2.105800     -0.5669000    
 H    7.482800      0.9199000       1.091300    
 H    5.918700       1.553400       1.583500    
 H    6.598600       1.980000     -1.1400000E-02
 H    6.602500      -1.910100      0.4327000    
 H    7.697100     -0.8086000     -0.4093000    
 H    6.322200      -1.478200      -1.276700    
 H   -1.829900      -2.133300      0.5625000    
 H   -1.847900       2.157300      0.1716000    
 H   -4.266000      -2.176200      0.2673000    
 H   -4.262800       2.137000     -0.1229000    
 H   -7.386100       1.168200     -0.4188000    


%chk=000022650-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000022650

0 1
O -6.794802 1.099176 0.003570
O -6.700260 -1.212280 -0.196756
N 5.992331 0.016100 0.101128
N 0.348669 -0.521400 -0.030902
N -0.392830 0.566263 0.050947
C 4.605011 -0.090645 0.069438
C 3.960025 -1.368059 -0.046301
C 3.769946 1.079764 0.152849
C 1.743424 -0.298821 0.007929
C 2.563592 -1.459592 -0.075890
C 2.378070 0.976574 0.122972
C 6.634889 1.333693 0.229651
C 6.827994 -1.191679 0.017810
C -1.798939 0.314257 0.008981
C -4.621180 0.065036 -0.053922
C -2.399660 -0.975215 -0.113517
C -2.625252 1.468800 0.099007
C -3.795809 -1.092372 -0.144028
C -4.025147 1.348633 0.068015
C -6.091085 -0.117612 -0.091942
H 4.552929 -2.283775 -0.111852
H 4.224322 2.070442 0.241748
H 2.067762 -2.432226 -0.164083
H 1.745507 1.867428 0.187371
H 7.728252 1.206989 0.241771
H 6.339698 1.842840 1.168355
H 6.378126 1.998374 -0.618665
H 6.629394 -1.884509 0.859487
H 7.890264 -0.905856 0.055911
H 6.655988 -1.741667 -0.928524
H -1.748689 -1.851350 -0.181689
H -2.138124 2.444644 0.192436
H -4.280630 -2.069981 -0.237459
H -4.666692 2.231114 0.136526
H -7.768395 0.899016 -0.028369


