%chk=000147598.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147598

0 1
 O   -3.716900      -2.220200     -1.4700000E-02
 O   -1.604200      -1.765200      0.4022000    
 N  -0.8545000      0.7264000      0.1628000    
 N   -3.048100     -0.1417000     -0.2020000    
 N   -2.701300       2.084700     -0.4912000    
 N   -2.754800      -1.451200      8.2000002E-02
 C    2.144400      0.5384000     -0.2495000    
 C    3.522100      0.1472000      0.2891000    
 C    1.404200       1.543800      0.6400000    
 C    4.177200     -0.9191000     -0.5901000    
 C   2.7000001E-03   1.912700      0.1648000    
 C    5.531000      -1.339800     -4.0700000E-02
 C   -2.101900      0.8840000     -0.1527000    
 H    2.253300      0.9615000      -1.255700    
 H    1.535700     -0.3682000     -0.3528000    
 H    4.163200       1.035400      0.3384000    
 H    3.419000     -0.2348000       1.312000    
 H    2.002700       2.460400      0.7107000    
 H    1.336600       1.132900       1.655400    
 H    3.528300      -1.800300     -0.6545000    
 H    4.304400     -0.5343000      -1.608700    
 H   6.5600000E-02   2.340700     -0.8428000    
 H  -0.3992000       2.673400      0.8448000    
 H    5.432700      -1.761200      0.9649000    
 H    5.981800      -2.100900     -0.6853000    
 H    6.216000     -0.4874000      9.1000004E-03
 H   -3.991600      0.1315000     -0.4666000    
 H   -2.186700       2.957400     -0.5223000    
 H   -3.686700       2.131900     -0.7267000    


%chk=000147598-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147598

0 1
O -4.325924 -2.108066 0.054558
O -4.758191 -0.060048 -0.898316
N -0.767422 0.685191 0.241822
N -2.685360 -0.533124 0.035646
N -2.700864 1.711631 -0.830780
N -3.990087 -0.913125 -0.288816
C 2.241117 0.535522 -0.178862
C 3.630960 0.194816 0.402702
C 1.491694 1.613178 0.632235
C 4.387682 -0.876095 -0.415717
C 0.074331 1.891767 0.094274
C 5.771849 -1.220599 0.175517
C -1.996938 0.706893 -0.200202
H 2.356850 0.879808 -1.229007
H 1.614100 -0.376869 -0.212635
H 4.248777 1.116453 0.456268
H 3.513307 -0.160501 1.448011
H 2.070392 2.559602 0.624960
H 1.405830 1.290063 1.688076
H 3.768386 -1.794593 -0.471615
H 4.507698 -0.519244 -1.459219
H 0.147188 2.202395 -0.976015
H -0.370786 2.748781 0.651465
H 5.675840 -1.609715 1.206926
H 6.292335 -1.987198 -0.427668
H 6.419883 -0.324441 0.215683
H -2.139646 -1.258173 0.512154
H -2.237977 2.596552 -1.015188
H -3.670026 1.547139 -1.116358


