%chk=000147053.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147053

1 1
 O   0.5596000       1.272800     -0.2710000    
 O   -4.475300       1.441300     -6.6699997E-02
 N    2.592300     -0.4878000     -0.1517000    
 N    4.505700      0.3364000      0.3666000    
 C    1.239600      -1.020500     -2.6600000E-02
 C    3.340400     -8.2400002E-02  0.8711000    
 C    3.273300     -0.3327000      -1.327400    
 C   0.1881000      9.2500001E-02 -0.1125000    
 C   -1.224800     -0.2370000     -9.8000001E-03
 C    4.491600      0.1918000     -0.9998000    
 C    5.606400      0.8606000       1.147400    
 C   -2.184000      0.7727000     -8.7700002E-02
 C   -1.620800      -1.563000      0.1665000    
 C   -3.539100      0.4565000      1.0400000E-02
 C   -2.975600      -1.879100      0.2647000    
 C   -3.934800     -0.8694000      0.1865000    
 C   -5.842600       1.047500      3.9999999E-02
 H    1.079700      -1.744600     -0.8324000    
 H    1.165500      -1.521000      0.9446000    
 H    3.061200     -8.7700002E-02   1.913300    
 H    2.793900     -0.6172000      -2.244200    
 H    5.362400      0.4877000      -1.552500    
 H    5.348800      0.8560000       2.209900    
 H    6.490200      0.2366000      0.9889000    
 H    5.815200       1.886600      0.8321000    
 H   -1.895100       1.811900     -0.2251000    
 H  -0.9099000      -2.380400      0.2329000    
 H   -3.283300      -2.911700      0.4020000    
 H   -4.969100      -1.185200      0.2703000    
 H   -6.059200      0.6071000       1.019200    
 H   -6.137700      0.3905000     -0.7852000    
 H   -6.448000       1.956000     -4.2700000E-02


%chk=000147053-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147053

1 1
O 0.681440 1.089181 0.463525
O -4.325061 1.570662 0.299012
N 2.626353 -0.752631 -0.064923
N 4.462531 0.420882 0.307806
C 1.245184 -1.247313 0.055453
C 3.227397 0.119290 0.797807
C 3.498489 -0.993584 -1.141134
C 0.230441 -0.065789 0.215993
C -1.210400 -0.383334 0.105440
C 4.648626 -0.261413 -0.906604
C 5.437755 1.340384 0.934690
C -2.128697 0.687930 0.244907
C -1.688238 -1.709561 -0.124370
C -3.519485 0.449459 0.152301
C -3.073842 -1.935542 -0.209205
C -3.995617 -0.871330 -0.076151
C -5.785594 1.400970 0.211107
H 1.016059 -1.841134 -0.843182
H 1.156550 -1.914354 0.932828
H 2.792546 0.516553 1.706917
H 3.241387 -1.651170 -1.965578
H 5.558659 -0.174738 -1.491887
H 5.040105 1.698037 1.895805
H 6.387781 0.812549 1.113096
H 5.611459 2.205668 0.275600
H -1.765691 1.704458 0.422401
H -1.005926 -2.559286 -0.229001
H -3.451620 -2.948197 -0.382071
H -5.067229 -1.077042 -0.150207
H -6.156120 0.731725 1.010001
H -6.080668 1.012659 -0.781621
H -6.193974 2.410811 0.352347


