%chk=000153256.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153256

0 1
 O    2.021400       1.797800       1.116600    
 O    4.238500       1.419300     -0.7930000    
 O    4.424700      -1.369300     -0.6343000    
 O   -5.294800     -0.7605000     -0.4472000    
 O   -4.394100       1.041700      -1.329400    
 N   0.6329000       1.662000      0.8672000    
 N   -1.972700      0.4903000     -7.5000003E-02
 N   -1.422200      -1.195900       1.261400    
 N   -4.304800      1.0100000E-02 -0.6037000    
 C    1.565100     -0.4838000       1.097600    
 C    2.639100      0.5458000      0.7741000    
 C    3.061100      0.6178000     -0.6992000    
 C    1.687000      -1.794400      0.3254000    
 C    3.320600     -0.7590000      -1.300200    
 C    2.076300      -1.627400      -1.143700    
 C   0.3689000      0.3911000      0.8484000    
 C  -0.9868000     -9.5100001E-02  0.6790000    
 C   -3.094700     -0.2818000      3.5000000E-02
 C   -2.730300      -1.316300      0.8642000    
 C   -1.835200       1.707500     -0.8431000    
 H    1.555500     -0.6960000       2.175000    
 H    3.514500      0.4155000       1.420800    
 H    2.293300       1.128000      -1.294400    
 H   0.7576000      -2.370400      0.3820000    
 H    2.452000      -2.409100      0.8174000    
 H    3.596200     -0.6598000      -2.355900    
 H    2.262100      -2.621800      -1.566900    
 H    1.240600      -1.186800      -1.700600    
 H    4.032000       2.286800     -0.4048000    
 H    4.556800      -2.246800      -1.031900    
 H   -3.338100      -2.144700       1.199600    
 H  -0.7936000       2.009000     -0.9353000    
 H   -2.176300       1.527600      -1.865700    
 H   -2.408500       2.498900     -0.3544000    


%chk=000153256-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153256

0 1
O 2.039303 1.889619 0.712939
O 4.555689 1.087537 -0.867079
O 4.542096 -1.652559 -0.326427
O -5.453236 -0.895295 -0.232454
O -4.889396 1.257011 -0.791254
N 0.625423 1.721439 0.439778
N -2.158345 0.666927 -0.072491
N -1.385575 -1.347651 0.702720
N -4.593030 0.065207 -0.363204
C 1.508271 -0.461423 0.940039
C 2.678283 0.501314 0.631044
C 3.261564 0.393105 -0.792468
C 1.687706 -1.880568 0.340176
C 3.530625 -1.058850 -1.213360
C 2.243517 -1.888658 -1.098483
C 0.324277 0.424151 0.507623
C -1.042547 -0.055351 0.368930
C -3.236881 -0.231941 -0.005480
C -2.735299 -1.456386 0.474559
C -2.196723 2.078422 -0.524647
H 1.406004 -0.576339 2.039535
H 3.476253 0.491227 1.388155
H 2.540774 0.846205 -1.505473
H 0.723062 -2.410057 0.395402
H 2.405926 -2.416852 0.985769
H 3.901099 -1.052617 -2.259821
H 2.463196 -2.927838 -1.400926
H 1.498914 -1.490544 -1.816410
H 4.432804 2.036989 -0.613655
H 5.317088 -1.031528 -0.320983
H -3.293635 -2.370842 0.653079
H -1.177991 2.483798 -0.463877
H -2.587864 2.131288 -1.551783
H -2.867252 2.661361 0.125527


