%chk=000131339.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131339

0 1
 O   -6.274300       1.317800     -0.5419000    
 O   -3.293000      -1.567300      0.5440000    
 O   -3.428100       2.852200     -0.7357000    
 N    2.720400      0.9334000      0.2406000    
 N    5.421500      1.1400000E-02  0.1242000    
 N   -3.489100      0.5316000     -0.4171000    
 N    7.099800      -1.158700      -1.054600    
 N    7.648800      0.1440000      0.8971000    
 C    3.023700     -0.4203000     -0.2395000    
 C    3.682800       1.322200       1.278900    
 C    1.353900       1.000400      0.7570000    
 C    4.432300     -0.4904000     -0.8345000    
 C    5.112900       1.311100      0.7338000    
 C   0.3522000      0.6641000     -0.3472000    
 C   -1.087400      0.7376000      0.1722000    
 C   -2.118100      0.4390000     -0.9115000    
 C    6.767000     -0.3463000     -1.5500000E-02
 C   -4.026000     -0.6680000      0.1208000    
 C   -4.011900       1.839300     -0.3458000    
 C   -5.504800     -0.9013000      0.1718000    
 C   -5.347600       1.949600      0.3184000    
 C   -6.496000      1.7500000E-02 -0.1912000    
 C    8.405300      -1.483100      -1.159600    
 C    8.937300     -0.2203000      0.7320000    
 C   -5.917400      -2.196500      0.5456000    
 C    9.378000      -1.039500     -0.2874000    
 C   -7.846100     -0.3645000     -0.2282000    
 C   -7.265300      -2.564900      0.5347000    
 C   -8.230800      -1.650000      0.1386000    
 H    2.364200     -0.7342000      -1.052000    
 H    2.927500      -1.154000      0.5721000    
 H    3.614200      0.6480000       2.143500    
 H    3.461000       2.335200       1.636300    
 H    1.216900      0.3204000       1.608100    
 H    1.147800       2.016500       1.116200    
 H    4.629900      -1.538400      -1.091700    
 H    4.487000      9.7400002E-02  -1.759700    
 H    5.782500       1.538600       1.571500    
 H    5.241400       2.103200     -1.4900000E-02
 H   0.4759000       1.353900      -1.191300    
 H   0.4782000     -0.3531000     -0.7278000    
 H   -1.267900       1.736900      0.5875000    
 H   -1.208200      3.4899998E-02   1.005700    
 H   -1.950600     -0.5673000      -1.315100    
 H   -1.991900       1.139400      -1.746100    
 H   -5.622200       3.007900      0.3858000    
 H   -5.330400       1.553200       1.341400    
 H    8.656100      -2.131300      -1.992400    
 H    9.629100      0.1777000       1.466600    
 H   -5.197000      -2.958000      0.8369000    
 H    10.41820      -1.315600     -0.3956000    
 H   -8.608500      0.3513000     -0.5275000    
 H   -7.554500      -3.571300      0.8232000    
 H   -9.278500      -1.933600      0.1186000    


%chk=000131339-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131339

0 1
O -6.514674 1.399173 -0.182992
O -3.315486 -1.621323 0.257061
O -3.422222 2.915315 -0.485971
N 2.792196 0.893881 0.030498
N 5.598610 0.381234 -0.321628
N -3.568923 0.591897 -0.347033
N 7.125728 -1.353988 -0.807596
N 7.654659 0.387846 0.843119
C 3.257781 -0.367136 -0.602364
C 3.782567 1.359628 1.036246
C 1.426676 0.794234 0.605094
C 4.623298 -0.159770 -1.286298
C 5.155549 1.600921 0.379523
C 0.322637 0.640612 -0.461385
C -1.088161 0.708632 0.164652
C -2.180371 0.520556 -0.908955
C 6.821226 -0.208727 -0.089492
C -4.121820 -0.652952 0.110298
C -4.076728 1.891527 -0.141829
C -5.599704 -0.886347 0.269161
C -5.418253 2.029077 0.565702
C -6.671954 0.019133 0.010802
C 8.339905 -1.911463 -0.566768
C 8.856796 -0.209755 1.046048
C -5.953016 -2.242771 0.554667
C 9.266650 -1.378139 0.360446
C -8.012697 -0.429894 -0.054560
C -7.282910 -2.686607 0.530323
C -8.320087 -1.777311 0.198039
H 2.528017 -0.682421 -1.368121
H 3.344929 -1.193075 0.150333
H 3.904572 0.620815 1.869842
H 3.421152 2.308868 1.473741
H 1.347612 -0.049029 1.341058
H 1.239952 1.729352 1.169019
H 5.019087 -1.106467 -1.683410
H 4.500436 0.561845 -2.119333
H 5.917488 1.866003 1.127697
H 5.063059 2.426776 -0.354740
H 0.448674 1.444405 -1.212696
H 0.432236 -0.325244 -0.993304
H -1.228035 1.689904 0.657277
H -1.201025 -0.081027 0.930926
H -2.073603 -0.466289 -1.387099
H -2.105706 1.317551 -1.668028
H -5.663277 3.099539 0.601166
H -5.372619 1.610788 1.591916
H 8.568629 -2.817113 -1.141333
H 9.507086 0.271710 1.786284
H -5.130179 -2.935432 0.754756
H 10.239568 -1.841229 0.537386
H -8.789864 0.308052 -0.273863
H -7.513845 -3.733869 0.748188
H -9.361420 -2.114095 0.156828


