%chk=000000720.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000720

0 1
 O   -2.040100     -0.6811000     -0.5631000    
 O   -4.574100     -2.4400000E-02  -1.782200    
 O   -5.540000       1.345500      0.4259000    
 O   -3.087700       2.432500      0.5211000    
 O   -1.945400      -3.198600      0.6211000    
 O    6.098900      0.4117000       1.638000    
 O    5.959400      -1.581300      0.5682000    
 N  -0.7331000       1.151700      0.1766000    
 N    5.420300     -0.5283000      -1.810500    
 C   -4.483000     -0.6341000     -0.4895000    
 C   -3.216100      -1.497900     -0.4745000    
 C   -4.454000      0.4539000      0.5803000    
 C   -1.900300      0.3147000      0.4394000    
 C   -3.138900       1.204400      0.4884000    
 C   0.4806000      0.3462000      0.1112000    
 C   -3.142900      -2.449600      0.7166000    
 C    1.689900       1.231500     -0.1899000    
 C    2.973200      0.4007000     -0.2704000    
 C    4.229800       1.237400     -0.5468000    
 C    5.520600      0.4233000     -0.7031000    
 C    5.882700     -0.3581000      0.5430000    
 H   -5.383500      -1.247300     -0.3709000    
 H   -3.190300      -2.107100      -1.386700    
 H   -4.518300      2.0600000E-02   1.583600    
 H   -1.790100     -0.1523000       1.425100    
 H  -0.6384000       1.849900      0.9140000    
 H   0.6388000     -0.1775000       1.062100    
 H   0.4029000     -0.4094000     -0.6793000    
 H   -3.137900      -1.931100       1.679000    
 H   -3.987600      -3.145200      0.7104000    
 H    1.799600       1.993000      0.5923000    
 H    1.538800       1.761400      -1.138700    
 H    2.841800     -0.3483000      -1.059600    
 H    3.103200     -0.1481000      0.6702000    
 H    4.354400       1.961100      0.2685000    
 H    4.069600       1.825700      -1.459800    
 H   -4.658100     -0.7377000      -2.437800    
 H   -5.533900       1.667600     -0.4917000    
 H    6.353400       1.102700     -0.9180000    
 H   -1.203200      -2.570300      0.6262000    
 H    6.313400      -1.003300      -1.936900    
 H    4.740900      -1.256000      -1.594000    
 H    6.321500     -0.1275000       2.426700    


%chk=000000720-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000000720

0 1
O -2.475929 -0.983210 -0.827443
O -5.230078 -0.093717 -1.433085
O -5.387245 1.630536 0.833097
O -3.000131 2.255878 -0.527784
O -2.124521 -3.223122 0.767061
O 6.189943 0.594288 1.987424
O 5.872200 -1.477270 0.984485
N -0.713319 0.718422 -0.410751
N 5.892405 -0.198158 -1.623370
C -4.806011 -0.589620 -0.116281
C -3.693600 -1.641352 -0.271602
C -4.340727 0.642444 0.745515
C -1.876667 0.186919 0.122806
C -3.051163 1.172756 0.107519
C 0.573044 0.005512 -0.390778
C -3.345226 -2.450442 0.997624
C 1.761172 0.988426 -0.354129
C 3.125503 0.264494 -0.386038
C 4.304128 1.261272 -0.349227
C 5.712401 0.592525 -0.400780
C 5.931147 -0.231709 0.883761
H -5.721014 -1.007609 0.337161
H -3.985522 -2.345355 -1.073145
H -4.145855 0.318835 1.783940
H -1.718767 -0.316031 1.094234
H -0.838342 1.475047 -1.090058
H 0.592707 -0.639463 0.510462
H 0.676444 -0.668171 -1.268923
H -3.221516 -1.795699 1.887310
H -4.150241 -3.173462 1.217696
H 1.681025 1.616578 0.554355
H 1.694019 1.676528 -1.222769
H 3.189448 -0.347789 -1.307793
H 3.189760 -0.436687 0.471037
H 4.242356 1.887586 0.561651
H 4.246058 1.931637 -1.227033
H -4.414977 0.018473 -1.993537
H -5.608587 1.917429 -0.091978
H 6.457857 1.408125 -0.392958
H -1.601674 -2.726322 0.077794
H 6.873977 -0.345756 -1.877866
H 5.381085 -1.087544 -1.608050
H 6.301232 0.035780 2.804946


