%chk=000178228.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178228

0 1
 O   -3.168500      -2.326500      6.8000001E-03
 O   -1.179000      -3.254200      2.6000001E-02
 N   -1.923200      -2.253200      1.4800000E-02
 C    2.128200      0.5134000      3.3199999E-02
 C    2.822800       1.864000      2.9999999E-02
 C    4.313800       1.814200      0.3586000    
 C    2.900400     -0.6687000     -1.8000000E-03
 C    4.993300      0.6972000     -0.4144000    
 C    4.409700     -0.6467000      4.4000000E-03
 C   0.7006000      0.4337000      1.6899999E-02
 C   8.4399998E-02 -0.8407000      1.6300000E-02
 C    2.261600      -1.912500      7.6000001E-03
 C  -0.1518000       1.564400     -4.0000002E-03
 C   0.8733000      -1.996500      1.8100001E-02
 C   -1.316800     -0.9524000      1.0100000E-02
 C   -1.554800       1.456600     -1.2400000E-02
 C   -2.145100      0.1787000     -3.0000000E-03
 C   -2.380900       2.593500     -3.0600000E-02
 C   -3.545800      6.5499999E-02 -1.0400000E-02
 C   -3.770200       2.466600     -3.8100000E-02
 C   -4.352300       1.203400     -2.7899999E-02
 H    2.352900       2.528900      0.7636000    
 H    2.691400       2.308200     -0.9648000    
 H    4.775600       2.778500      0.1182000    
 H    4.452200       1.653100       1.435400    
 H    4.852200      0.8517000      -1.491600    
 H    6.072500      0.7064000     -0.2251000    
 H    4.796900      -1.420100     -0.6700000    
 H    4.749600     -0.8924000       1.018400    
 H    2.853700      -2.825700      5.2000000E-03
 H   0.2790000       2.564800     -1.9400001E-02
 H   0.6558000      -3.047000      2.1400001E-02
 H   -1.946900       3.591400     -3.8600001E-02
 H   -4.212200     -0.7767000     -1.3000000E-03
 H   -4.396200       3.354100     -5.1500000E-02
 H   -5.435000       1.109800     -3.2800000E-02


%chk=000178228-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178228

0 1
O -2.945595 -2.582574 -0.819542
O -1.582211 -3.225348 0.886569
N -1.994762 -2.346487 0.028539
C 2.154305 0.493945 0.035794
C 2.791603 1.882256 0.055583
C 4.307301 1.862220 0.358694
C 2.942973 -0.661960 -0.002772
C 5.016851 0.762508 -0.456775
C 4.466020 -0.618675 -0.048742
C 0.702741 0.371608 0.037710
C 0.071436 -0.947543 0.048677
C 2.303890 -1.951254 -0.005370
C -0.130631 1.515369 0.016608
C 0.926808 -2.105045 0.033965
C -1.355838 -1.013722 0.019443
C -1.543587 1.437105 -0.005775
C -2.201448 0.137385 -0.019798
C -2.344064 2.634349 -0.008340
C -3.641848 0.104672 -0.027330
C -3.731764 2.566139 -0.015459
C -4.379897 1.285424 -0.019344
H 2.285640 2.518517 0.807410
H 2.620800 2.373351 -0.926146
H 4.739172 2.856624 0.139639
H 4.467357 1.669814 1.438455
H 4.840270 0.933685 -1.537511
H 6.110199 0.798018 -0.294505
H 4.830373 -1.402328 -0.741183
H 4.862835 -0.890203 0.952481
H 2.940371 -2.844542 -0.034886
H 0.320016 2.512681 0.009777
H 0.492063 -3.105539 0.057657
H -1.831723 3.603427 0.000794
H -4.159799 -0.855827 -0.057419
H -4.334554 3.480149 -0.015676
H -5.474102 1.236600 -0.023922


