%chk=000160389.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160389

0 1
 O  -0.2874000      -2.732300     -0.4215000    
 O    5.196900       2.593100      -1.063400    
 O    3.081600       2.016300      -1.237100    
 O   -6.550900       1.083200       1.000200    
 O   -5.818600     -0.7307000     -5.5000000E-03
 N    3.489200     -0.1349000      0.4795000    
 N   -3.169700      0.2343000      0.4527000    
 N   0.4467000     -0.8799000      -1.615100    
 N    5.345800     -0.7989000       1.501400    
 N    4.238500       1.824800     -0.7642000    
 N   -4.082200       2.256300      0.3480000    
 N   -5.611500      0.4197000      0.4759000    
 C   -3.028600      -1.914400     -0.8348000    
 C    2.089600     -0.1164000      6.4400002E-02
 C   -3.053400      -1.217000      0.5302000    
 C   -1.879300      -1.482100      -1.746700    
 C    1.830600     -0.9254000      -1.201900    
 C  -0.5026000      -1.795400      -1.185700    
 C    4.067300      -1.045000       1.320200    
 C    4.461000      0.7478000      0.1007000    
 C   -4.324000      0.9666000      0.4267000    
 C   -2.125500       1.113100      0.3858000    
 C    5.597600      0.3178000      0.7443000    
 C    3.302500      -2.154800       1.924600    
 C   -2.713600       2.354400      0.3215000    
 H   -2.969300      -2.996500     -0.6650000    
 H   -3.966100      -1.734600      -1.371200    
 H    1.704900      0.9043000      2.9500000E-02
 H    1.512700     -0.5619000      0.8853000    
 H   -3.861600      -1.600800       1.160600    
 H   -2.128600      -1.424100       1.082300    
 H   -1.966500     -0.4185000      -1.991300    
 H   -1.959200      -2.026300      -2.696100    
 H    2.122100      -1.971800      -1.057500    
 H    2.423300     -0.5379000      -2.037300    
 H   0.1709000     -0.1316000      -2.244000    
 H   -1.091900      0.7983000      0.3974000    
 H    6.587300      0.7502000      0.7047000    
 H    2.547800      -1.777200       2.621300    
 H    2.809400      -2.764700       1.162100    
 H    3.971600      -2.812900       2.488900    
 H   -2.220800       3.313800      0.2602000    


%chk=000160389-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000160389

0 1
O -0.219421 -0.565976 0.326053
O 6.875163 -0.358926 -2.048389
O 4.721768 0.072382 -2.708994
O -7.350999 -0.264346 0.421549
O -5.860273 -1.552707 -0.744579
N 3.901795 -0.018137 0.048436
N -3.734751 -0.550176 0.840851
N 0.650903 -0.510455 -1.817934
N 5.190097 -0.641106 1.824001
N 5.620089 -0.177159 -1.791406
N -5.200670 0.941785 1.775198
N -6.157189 -0.661063 0.165472
C -2.777746 -1.260570 -1.390599
C 2.694617 0.380330 -0.703414
C -3.129232 -1.661684 0.059313
C -1.770404 -0.083830 -1.526693
C 2.004361 -0.849053 -1.355216
C -0.400491 -0.395961 -0.929557
C 3.939499 -0.261088 1.420438
C 5.206637 -0.269279 -0.429049
C -5.060408 -0.092512 0.916861
C -3.008184 0.260840 1.707821
C 5.976781 -0.642547 0.687100
C 2.762039 -0.103195 2.329104
C -3.925091 1.169234 2.270277
H -2.370620 -2.161773 -1.888856
H -3.710807 -0.997584 -1.919720
H 2.969786 1.113850 -1.474858
H 1.997366 0.840838 0.013474
H -3.844583 -2.497228 0.034167
H -2.222700 -1.967918 0.604803
H -2.173544 0.803372 -1.003708
H -1.681931 0.183351 -2.596379
H 1.925628 -1.656074 -0.604495
H 2.603598 -1.202309 -2.209594
H 0.489491 -0.355969 -2.813975
H -1.933625 0.124583 1.817080
H 7.029486 -0.911475 0.701335
H 2.549791 0.963772 2.535219
H 1.841558 -0.549262 1.911255
H 3.002727 -0.587876 3.287188
H -3.734514 1.960900 2.990522


