%chk=000100658.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100658

0 1
 O   -5.442600     -2.2299999E-02  0.9581000    
 O    5.443800     -6.5000001E-03 -0.9586000    
 O   -4.611400      0.1137000      -1.192200    
 O    4.611600      0.1346000       1.191200    
 O   -7.195800       2.204100      0.4912000    
 O   -6.857800      -2.378000      0.1249000    
 O    7.223900       2.196900     -0.4839000    
 O    6.828400      -2.381600     -0.1293000    
 N   -6.719800     -6.8300001E-02  0.3573000    
 N    6.719400     -6.9700003E-02 -0.3561000    
 C  -0.5832000      0.2112000      0.4918000    
 C   0.5847000      0.2044000     -0.4971000    
 C   -1.928800      0.1572000     -0.2385000    
 C    1.930900      0.2136000      0.2341000    
 C   -3.115200      0.1296000      0.7250000    
 C    3.118100      0.1739000     -0.7280000    
 C   -8.728400      0.6228000     -0.5134000    
 C   -8.616300     -0.8985000     -0.6350000    
 C    8.735300      0.5942000      0.5190000    
 C    8.604000     -0.9259000      0.6367000    
 C   -4.453900      8.5199997E-02  2.1000000E-02
 C    4.455200      0.1112000     -2.2399999E-02
 C   -7.464000       1.054300      0.1790000    
 C   -7.294400      -1.245000     -4.9000001E-03
 C    7.477300       1.043100     -0.1740000    
 C    7.278800      -1.254300      4.0000002E-03
 H  -0.5374000       1.114200       1.112300    
 H  -0.5000000     -0.6501000       1.165700    
 H   0.5178000       1.079000      -1.155100    
 H   0.5221000     -0.6863000      -1.133900    
 H   -1.963300     -0.7321000     -0.8806000    
 H   -2.018600       1.025000     -0.9040000    
 H    2.001900       1.109000      0.8645000    
 H    1.983800     -0.6485000      0.9111000    
 H   -3.096300       1.025500       1.355900    
 H   -3.039700     -0.7562000       1.366200    
 H    3.108800       1.069200      -1.359700    
 H    3.034700     -0.7117000      -1.368500    
 H   -9.596600      0.9099000      8.6999997E-02
 H   -8.792300       1.096400      -1.497400    
 H   -8.621900      -1.215000      -1.682100    
 H   -9.426000      -1.400400     -9.7499996E-02
 H    9.607700      0.8718000     -7.9599999E-02
 H    8.803700       1.064600       1.504300    
 H    8.604200      -1.245000       1.683000    
 H    9.408200      -1.436400      9.9200003E-02


%chk=000100658-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100658

0 1
O -5.539431 -0.201342 0.911885
O 5.539219 -0.211627 -0.911320
O -4.731446 0.361962 -1.240569
O 4.731833 0.363054 1.238348
O -7.120385 2.218728 0.718317
O -7.002839 -2.374216 -0.335193
O 7.125414 2.205902 -0.728922
O 6.997534 -2.381656 0.346666
N -6.840629 -0.106670 0.345106
N 6.840468 -0.117060 -0.344608
C -0.611353 0.026492 0.471502
C 0.611494 0.025260 -0.472769
C -1.952361 0.031016 -0.293993
C 1.952478 0.029740 0.292766
C -3.160125 0.028655 0.665877
C 3.160324 0.024711 -0.667024
C -8.888791 0.800861 -0.367443
C -8.853626 -0.715202 -0.704984
C 8.890566 0.789334 0.363807
C 8.851676 -0.724835 0.709336
C -4.482004 0.099400 -0.061141
C 4.482163 0.095758 0.060030
C -7.546756 1.126336 0.296613
C -7.486013 -1.229659 -0.241936
C 7.549281 1.114620 -0.301849
C 7.483163 -1.238579 0.248165
H -0.560046 0.914936 1.134692
H -0.563136 -0.862282 1.134254
H 0.560980 0.912764 -1.137274
H 0.562517 -0.864454 -1.134203
H -2.008354 -0.852818 -0.958316
H -2.008745 0.919022 -0.951682
H 2.009693 0.918737 0.949039
H 2.007593 -0.853104 0.958486
H -3.115263 0.898391 1.352404
H -3.163222 -0.867503 1.314131
H 3.116180 0.893402 -1.354934
H 3.162759 -0.872497 -1.313796
H -9.703728 1.070239 0.325664
H -8.997131 1.436320 -1.262509
H -8.955727 -0.917156 -1.784427
H -9.641826 -1.289496 -0.188925
H 9.706079 1.052960 -0.330843
H 9.000656 1.429292 1.255445
H 8.952567 -0.921244 1.789918
H 9.638900 -1.303694 0.196911


