%chk=000152628.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152628

0 1
 O   -3.057300       2.711600      0.3257000    
 O   -6.205700      -1.853700     -0.2210000    
 O   -6.375700      0.3190000      4.2100001E-02
 N   0.1051000     -0.2989000     -3.7700001E-02
 N    2.979500     -0.1542000     -2.0400001E-02
 N   -1.850800       2.037700      0.2435000    
 N   -4.136700       1.850800      0.2242000    
 N   -5.676800     -0.7200000     -8.3800003E-02
 C   0.8028000      0.8896000     -0.5277000    
 C   0.9126000      -1.411900      0.4613000    
 C    2.196600      0.5299000      -1.049400    
 C    2.257000     -0.9144000      0.9994000    
 C   -1.285500     -0.3685000     -4.5100000E-02
 C    4.370000     -8.3499998E-02 -1.1400000E-02
 C   -2.163000      0.7449000      8.9299999E-02
 C   -1.988300      -1.596800     -0.1911000    
 C   -3.616000      0.6261000      7.7000000E-02
 C    5.107800      6.4099997E-02  -1.209600    
 C    5.103600     -0.1566000       1.196300    
 C   -3.403200      -1.712500     -0.2030000    
 C   -4.268800     -0.6116000     -7.0299998E-02
 C    6.500900      0.1347000      -1.200500    
 C    6.496600     -8.5800000E-02   1.205400    
 C    7.195300      5.9999999E-02  6.8999999E-03
 H   0.8904000       1.620900      0.2850000    
 H   0.2510000       1.356100      -1.352700    
 H    1.076900      -2.131100     -0.3506000    
 H   0.3963000      -1.935100       1.275500    
 H    2.110600     -0.1196000      -1.929500    
 H    2.688200       1.459300      -1.362600    
 H    2.095600     -0.2777000       1.878200    
 H    2.835600      -1.790000       1.318600    
 H   -1.423400      -2.521200     -0.3151000    
 H    4.600300      0.1127000      -2.170500    
 H    4.591300     -0.2571000       2.150500    
 H   -3.813400      -2.714800     -0.3254000    
 H    7.045500      0.2452000      -2.133700    
 H    7.037500     -0.1412000       2.145600    
 H    8.279900      0.1151000      1.3900000E-02


%chk=000152628-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152628

0 1
O -3.126871 2.698535 -0.891380
O -5.982809 -2.248963 -0.316803
O -6.350235 -0.061877 -0.895280
N 0.052834 -0.087546 0.375572
N 2.957686 -0.068237 0.170637
N -1.886490 2.099839 -0.513144
N -4.223883 1.739214 -0.887730
N -5.577889 -1.030054 -0.519305
C 0.805498 1.164122 0.109787
C 0.871793 -1.226423 0.867029
C 2.124643 0.856451 -0.621960
C 2.291034 -0.780213 1.266634
C -1.291902 -0.275154 0.143327
C 4.351889 -0.127709 -0.023534
C -2.189545 0.795855 -0.280009
C -1.913745 -1.545093 0.313016
C -3.620937 0.573863 -0.506698
C 4.939990 0.420515 -1.204913
C 5.218104 -0.731017 0.939196
C -3.295388 -1.756219 0.092956
C -4.168089 -0.736235 -0.310483
C 6.333043 0.357683 -1.409932
C 6.608536 -0.793994 0.713900
C 7.182793 -0.252377 -0.458828
H 1.017944 1.677614 1.068608
H 0.191170 1.847121 -0.493726
H 0.936084 -2.003328 0.077857
H 0.382348 -1.679679 1.751556
H 1.900382 0.446029 -1.630149
H 2.660714 1.815383 -0.768702
H 2.248456 -0.177201 2.201504
H 2.855749 -1.698910 1.503639
H -1.315265 -2.407124 0.610814
H 4.310961 0.873240 -1.977528
H 4.820183 -1.125175 1.879646
H -3.724096 -2.753315 0.233028
H 6.755037 0.782257 -2.328196
H 7.249027 -1.259621 1.471931
H 8.263548 -0.300758 -0.625035


