%chk=000053494.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053494

0 1
 O   -2.228900       2.823600     -0.8031000    
 O    3.226700      0.9501000       1.191600    
 O    6.585000     -0.3523000      0.8608000    
 O   -3.729300      -1.059400       1.127000    
 O   -5.401200      0.1663000      0.1479000    
 N    3.247300      -1.645000     -8.7499999E-02
 C   0.1271000       2.406000     -0.1625000    
 C   -1.243700       2.082300     -0.2161000    
 C   0.9774000       1.489400      0.5009000    
 C   -1.786500      0.9284000      0.3409000    
 C   -3.179500      0.9829000      7.0200004E-02
 C    2.346800       1.788500      0.5685000    
 C    5.160200     -0.4519000      0.9409000    
 C   0.4422000      0.3203000       1.067500    
 C  -0.9288000      2.8400000E-02  0.9959000    
 C   -3.394000       2.150000     -0.6241000    
 C    4.561500      0.9311000      0.6943000    
 C    4.696800      -1.502300     -7.1300000E-02
 C   0.6357000       3.584200     -0.7388000    
 C    2.851600       2.960000     -4.6000001E-03
 C    2.000000       3.853500     -0.6551000    
 C    2.829900      -2.608200      -1.097400    
 C   -4.595200       2.783300      -1.189300    
 C   -4.196200      3.6899999E-02  0.4283000    
 C    1.332900      -2.763700      -1.139300    
 C   0.7086000      -3.722400     -0.3410000    
 C   0.5700000      -1.949000      -1.976000    
 C   -4.692900      -2.044400       1.516600    
 C  -0.6782000      -3.866500     -0.3796000    
 C  -0.8169000      -2.093100      -2.014400    
 C   -1.440900      -3.051800      -1.216100    
 C   -3.987400      -3.155400       2.264700    
 H    4.909300     -0.7956000       1.952200    
 H    1.081700     -0.3897000       1.588100    
 H   -1.292100     -0.8864000       1.452900    
 H    4.622400       1.146400     -0.3813000    
 H    5.145300       1.689800       1.229900    
 H    5.176600      -2.460000      0.1686000    
 H    5.063900      -1.218900      -1.066600    
 H  -1.6300000E-02   4.289700      -1.246700    
 H    3.899000       3.240000      6.0800001E-02
 H    2.400000       4.764900      -1.090100    
 H    2.928900      -1.947900      0.8328000    
 H    3.178900      -2.295400      -2.090100    
 H    3.286000      -3.588700     -0.9072000    
 H   -5.327400       2.992100     -0.4031000    
 H   -4.354500       3.730900      -1.681700    
 H   -5.062100       2.129800      -1.932800    
 H    6.875800      0.2593000       1.558600    
 H    1.291500      -4.361600      0.3168000    
 H    1.043600      -1.195100      -2.599300    
 H   -5.179900      -2.449500      0.6229000    
 H   -5.445200      -1.580300       2.163500    
 H   -1.164100      -4.612200      0.2427000    
 H   -1.411400      -1.456100      -2.662600    
 H   -2.521200      -3.161400      -1.243500    
 H   -4.697100      -3.923200       2.585100    
 H   -3.471800      -2.759700       3.146000    
 H   -3.224700      -3.621500       1.633500    


%chk=000053494-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053494

0 1
O -2.854185 3.014569 -0.527538
O 2.635039 0.621910 0.892921
O 5.962426 -0.269739 2.021592
O -4.379091 -0.238936 2.427925
O -6.118532 1.034536 1.525906
N 3.772501 -2.100577 -0.343147
C -0.440512 2.374389 -0.254292
C -1.822055 2.220839 0.034025
C 0.427955 1.443752 0.438057
C -2.372930 1.266585 0.910747
C -3.818093 1.482856 0.889221
C 1.845440 1.542389 0.190218
C 4.657985 -0.587471 1.416583
C -0.120129 0.462405 1.338245
C -1.491189 0.361715 1.581685
C -4.066722 2.542379 0.011643
C 4.087821 0.616996 0.637664
C 4.932099 -1.804213 0.512864
C 0.096236 3.352964 -1.149738
C 2.360830 2.506809 -0.688955
C 1.475670 3.407940 -1.354609
C 3.977522 -3.184180 -1.322639
C -5.308687 3.232602 -0.439055
C -4.885771 0.780887 1.608231
C 2.780118 -3.359286 -2.252598
C 2.486961 -4.635015 -2.797412
C 1.960035 -2.258407 -2.607889
C -5.400599 -1.008030 3.200572
C 1.406252 -4.807877 -3.691302
C 0.873169 -2.430995 -3.494482
C 0.593911 -3.704516 -4.042638
C -4.643443 -2.056939 4.009107
H 3.913283 -0.852379 2.199036
H 0.577725 -0.214797 1.837583
H -1.900024 -0.385232 2.265022
H 4.272338 0.504543 -0.447020
H 4.533748 1.564660 1.003803
H 5.250471 -2.655082 1.161012
H 5.795160 -1.556142 -0.136688
H -0.580395 4.043909 -1.660392
H 3.435499 2.583942 -0.873299
H 1.898035 4.153172 -2.037269
H 2.896627 -2.210352 0.184657
H 4.874425 -2.917158 -1.921148
H 4.210919 -4.169166 -0.845857
H -5.843023 3.679913 0.417817
H -5.061132 4.020479 -1.168474
H -6.012172 2.514332 -0.895579
H 5.829317 0.332429 2.796363
H 3.106731 -5.497515 -2.519853
H 2.181676 -1.275804 -2.177876
H -6.113469 -1.457423 2.485676
H -5.958063 -0.300519 3.840845
H 1.193455 -5.800212 -4.105332
H 0.244460 -1.572033 -3.755809
H -0.249160 -3.837065 -4.730182
H -5.356755 -2.657881 4.602217
H -3.930168 -1.580766 4.703702
H -4.084339 -2.738695 3.345337


