%chk=000166538.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166538

0 1
 O    3.397900       1.802400     -3.3799998E-02
 O    6.730100     -0.9531000      3.3300001E-02
 O   -4.219400      0.2613000     -1.4000000E-02
 O   -7.570700       1.259600      2.7899999E-02
 O   -5.704800       2.415200     -2.0400001E-02
 N    4.489500     -0.3258000     -6.0999999E-03
 N    2.218900     -0.2272000     -2.7000001E-02
 N   0.9822000      0.2892000     -1.9500000E-02
 N    6.189100       1.293500      2.6500000E-02
 N   -6.305000       1.300300      5.7000001E-03
 C    4.007600      -1.699700     -9.7700000E-02
 C    2.501400      -1.627200      7.8800000E-02
 C    3.364900      0.5787000     -2.3200000E-02
 C    5.878400     -6.1299998E-02  2.1199999E-02
 C   4.9800001E-02 -0.6060000     -2.4499999E-02
 C    7.547500       1.784300      4.6799999E-02
 C   -1.382800     -0.2368000     -1.7899999E-02
 C   -3.710400     -0.9875000     -4.1000000E-03
 C   -2.295400      -1.217800     -2.4700001E-02
 C   -4.689300      -1.936300      2.6100000E-02
 C   -5.569900      0.1134000      1.0700000E-02
 C   -5.909500      -1.219300      3.6100000E-02
 H    4.492900      -2.327100      0.6570000    
 H    4.282500      -2.085300      -1.086300    
 H    2.024200      -2.212000     -0.7138000    
 H    2.208400      -1.990100       1.069900    
 H    5.440900       1.975700     -3.1700000E-02
 H   0.2101000      -1.696000     -2.4200000E-02
 H    7.548100       2.788300      0.4771000    
 H    7.916000       1.822000     -0.9814000    
 H    8.182900       1.121300      0.6396000    
 H   -1.638600      0.8163000     -3.0000000E-03
 H   -1.973600      -2.256700     -3.6899999E-02
 H   -4.562700      -3.009900      3.9799999E-02
 H   -6.909300      -1.629600      5.8899999E-02


%chk=000166538-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166538

0 1
O 3.209438 1.606757 -0.016880
O 6.851582 -0.664228 0.005413
O -4.085006 0.303842 0.000386
O -7.369229 1.746989 -0.010979
O -5.290740 2.742886 -0.017319
N 4.540088 -0.371893 0.001891
N 2.294462 -0.608701 0.006230
N 0.998841 -0.188347 0.002802
N 5.967669 1.519075 -0.019652
N -6.067324 1.708071 -0.010257
C 4.344324 -1.839871 0.018559
C 2.796925 -2.007376 0.017701
C 3.341469 0.356701 -0.004345
C 5.880986 0.150222 -0.003827
C 0.028129 -1.099863 0.011040
C 7.266193 2.199989 -0.026805
C -1.338061 -0.639532 0.007008
C -3.794097 -1.081801 0.010682
C -2.420685 -1.497440 0.014014
C -5.004157 -1.802746 0.015786
C -5.481294 0.402598 -0.000665
C -6.075213 -0.857971 0.008542
H 4.815741 -2.274387 0.914648
H 4.819183 -2.295112 -0.865284
H 2.437148 -2.550473 -0.875970
H 2.434913 -2.536687 0.918666
H 5.087029 2.055824 -0.024877
H 0.210969 -2.189465 0.020206
H 7.380398 2.840711 0.866727
H 7.377033 2.827005 -0.930331
H 8.060086 1.436956 -0.022193
H -1.493202 0.445786 -0.002014
H -2.264800 -2.583718 0.022826
H -5.092167 -2.887299 0.023770
H -7.144729 -1.049701 0.009701


