%chk=000129804.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129804

0 1
 O  -0.2702000       2.547300     -0.9785000    
 O   -1.135100      -2.013500      -1.318200    
 O   -1.414500      -2.597000      0.7796000    
 N    2.528400      0.4550000      0.2374000    
 N   -1.809400      0.5759000      0.4594000    
 N   -3.638500     -0.5223000     -8.8299997E-02
 N   -1.603500      -1.779500     -0.1668000    
 C    3.933300      0.7344000      0.5332000    
 C    2.554900     -0.6438000     -0.7277000    
 C    4.537300     -0.6563000      0.6607000    
 C    3.633500      -1.561300     -0.1708000    
 C    1.824500       1.623400     -0.2699000    
 C   0.3432000       1.334200     -0.5363000    
 C  -0.3957000      0.8534000      0.7188000    
 C   -2.335300     -0.6085000      6.1400000E-02
 C   -2.811400       1.480800      0.5759000    
 C   -3.941600      0.7778000      0.2302000    
 H    4.054600       1.312400       1.454700    
 H    4.421900       1.276300     -0.2868000    
 H    2.841900     -0.3008000      -1.730000    
 H    1.600900      -1.173700     -0.7975000    
 H    4.533600     -0.9881000       1.705600    
 H    5.572300     -0.6789000      0.3048000    
 H    4.187200      -2.061700     -0.9716000    
 H    3.194600      -2.335600      0.4694000    
 H    2.290500       2.009600      -1.186900    
 H    1.893500       2.440600      0.4607000    
 H   0.2219000      0.6100000      -1.349300    
 H  -0.3753000       1.625700       1.498200    
 H   4.4000000E-02 -5.5700000E-02   1.141100    
 H   0.1815000       2.823800      -1.794100    
 H   -2.656100       2.506600      0.8801000    
 H   -4.958100       1.141700      0.1949000    


%chk=000129804-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129804

0 1
O -0.374379 2.627712 -0.971350
O -0.431783 -1.820182 -0.250675
O -2.376473 -2.998686 0.018638
N 2.547062 0.449438 0.072009
N -1.776935 0.560185 0.520030
N -3.759664 -0.543950 0.202456
N -1.714093 -1.898745 -0.002224
C 3.932436 0.741912 0.531455
C 2.690444 -0.677145 -0.894953
C 4.553426 -0.662435 0.735146
C 3.749587 -1.597068 -0.233098
C 1.817781 1.625364 -0.425698
C 0.305731 1.364454 -0.620501
C -0.342207 0.892250 0.686590
C -2.413856 -0.660838 0.246719
C -2.798747 1.492613 0.641256
C -4.007510 0.798661 0.445364
H 3.915795 1.350418 1.453459
H 4.507613 1.309178 -0.245033
H 3.058695 -0.303205 -1.885277
H 1.727844 -1.189428 -1.051966
H 4.422008 -0.991853 1.779783
H 5.635425 -0.658887 0.516957
H 4.396051 -2.068757 -0.993108
H 3.254467 -2.403880 0.332241
H 2.233522 1.998356 -1.402281
H 1.926839 2.449235 0.305760
H 0.137871 0.602549 -1.407729
H -0.275687 1.706755 1.429366
H 0.214355 0.019506 1.054710
H -0.103877 2.907169 -1.881493
H -2.581956 2.540125 0.829088
H -5.020984 1.191378 0.457762


