%chk=000081249.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081249

0 1
 O   -6.594300     -0.7781000     -0.2703000    
 O   -6.315100       1.398200     -0.2019000    
 N   0.2296000     -0.5389000     -0.5162000    
 N    5.704800      -1.490500      0.2249000    
 N  -0.3475000     -0.4996000      0.5939000    
 N   -5.857300      0.2308000     -0.1551000    
 C    2.482700      0.3692000     -0.1934000    
 C    3.864900      0.1291000     -6.3999998E-03
 C    1.608300     -0.7215000     -0.3283000    
 C    4.331800      -1.194500      4.0199999E-02
 C    2.015700       1.692900     -0.2401000    
 C    4.739200       1.219800      0.1283000    
 C    2.089700      -2.030000     -0.2795000    
 C    3.448700      -2.266100     -9.5600002E-02
 C    2.898800       2.764400     -0.1044000    
 C    4.258000       2.528300      7.9400003E-02
 C   -1.728300     -0.3165000      0.4062000    
 C   -2.560300      -1.424100      0.2766000    
 C   -2.253000      0.9710000      0.3515000    
 C   -4.462200      4.5899998E-02  3.4499999E-02
 C   -3.930700      -1.242500      9.0400003E-02
 C   -3.623400       1.152700      0.1653000    
 H   0.9630000       1.920900     -0.3875000    
 H    5.808300       1.099900      0.2738000    
 H    1.412000      -2.873500     -0.3853000    
 H    3.807800      -3.291700     -6.0199998E-02
 H    2.525200       3.783500     -0.1437000    
 H    4.944300       3.363600      0.1845000    
 H    5.999800      -2.458300      0.2530000    
 H    6.402400     -0.7702000      0.3314000    
 H   -2.154200      -2.431100      0.3197000    
 H   -1.606900       1.838700      0.4540000    
 H   -4.553700      -2.127800     -7.3000002E-03
 H   -4.002200       2.170800      0.1273000    


%chk=000081249-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000081249

0 1
O -6.443288 1.257839 -0.951805
O -6.965419 -0.461158 0.458450
N 0.305348 -0.074836 0.097379
N 5.766144 -1.186136 1.093028
N -0.585185 -0.805096 0.747358
N -6.109639 0.290313 -0.157980
C 2.655352 0.390358 -0.342959
C 4.059054 0.131957 -0.112201
C 1.650142 -0.381995 0.369189
C 4.437349 -0.902661 0.836265
C 2.287216 1.409639 -1.277908
C 5.031439 0.904232 -0.826942
C 2.067503 -1.382425 1.283832
C 3.426799 -1.637040 1.513282
C 3.258044 2.147040 -1.960773
C 4.644031 1.893500 -1.734708
C -1.936702 -0.462056 0.459975
C -2.355232 0.591988 -0.409826
C -2.917314 -1.257599 1.119890
C -4.673817 0.029891 0.055699
C -3.719442 0.838581 -0.612073
C -4.286544 -1.019155 0.922338
H 1.221466 1.589673 -1.438948
H 6.104106 0.733873 -0.676342
H 1.294382 -1.951696 1.808563
H 3.723133 -2.415312 2.226954
H 2.957484 2.922973 -2.672950
H 5.401752 2.473330 -2.272067
H 6.013070 -1.913989 1.759222
H 6.522763 -0.687993 0.634488
H -1.590997 1.195171 -0.906955
H -2.570567 -2.057103 1.781721
H -4.070495 1.637959 -1.270158
H -5.056036 -1.617269 1.416663


