%chk=000003189.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003189

0 1
 O   -3.007900       2.017500       1.278000    
 O  -0.5865000       1.008900       2.405600    
 O   -4.661400     -0.1165000     -0.8637000    
 O    1.140200       1.161500      -1.170500    
 O   -5.273300       2.079100     -0.4715000    
 N  -0.4853000     -0.2950000      0.4780000    
 N    2.844500      0.8798000      0.3815000    
 C   -2.584000      0.6496000       1.216300    
 C   -3.080400       1.374300     -8.9999998E-04
 C   0.9251000     -0.5844000      0.4986000    
 C    1.254800      -1.915100     -0.1896000    
 C   -1.117600      0.4786000       1.436900    
 C   0.5557000      -3.148400      0.4179000    
 C    1.630000      0.5663000     -0.2128000    
 C   -4.456700       1.169000     -0.4660000    
 C   0.9635000      -3.301700       1.885900    
 C   0.8782000      -4.434900     -0.3433000    
 C    4.690700       1.521800      -1.131000    
 C    3.689600       1.963400     -6.6100001E-02
 C    5.649200      0.3946000     -0.6975000    
 C    6.586300     -4.1299999E-02  -1.824900    
 C    6.472400      0.8524000      0.5097000    
 C   -5.980400     -0.4107000      -1.334500    
 C   -6.046800      -1.868800      -1.736100    
 H   -3.222400     -8.3300002E-02   1.694600    
 H   -2.367000       1.696800     -0.7494000    
 H    1.254400     -0.5986000       1.543400    
 H   0.9763000      -1.848500      -1.250500    
 H    2.342500      -2.067000     -0.1770000    
 H  -0.5310000      -3.006200      0.3748000    
 H   -1.031400     -0.6383000     -0.3073000    
 H    4.136500       1.181800      -2.015700    
 H    5.273000       2.396200      -1.448300    
 H    3.053600       2.754700     -0.4792000    
 H    4.189800       2.379800      0.8129000    
 H   0.5793000      -2.482300       2.500400    
 H   0.5543000      -4.227900       2.304800    
 H    2.052500      -3.336900       1.997400    
 H   0.5737000      -4.348800      -1.391600    
 H   0.3489000      -5.289800      9.0300001E-02
 H    1.951700      -4.651000     -0.3193000    
 H    5.062300     -0.4839000     -0.4019000    
 H    3.174600      0.3233000       1.164400    
 H    7.236200     -0.8604000      -1.499500    
 H    6.012200     -0.3918000      -2.688900    
 H    7.221800      0.7876000      -2.154500    
 H    7.220800      9.7099997E-02  0.7744000    
 H    5.846100      0.9987000       1.394700    
 H    7.001500       1.788600      0.3015000    
 H   -6.705300     -0.2130000     -0.5370000    
 H   -6.209200      0.2223000      -2.199100    
 H   -5.314700      -2.086100      -2.520800    
 H   -5.802300      -2.514200     -0.8859000    
 H   -7.044100      -2.128800      -2.101500    


%chk=000003189-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003189

0 1
O -2.691550 1.621584 -0.533158
O -1.058727 -0.237517 2.284359
O -5.514168 -0.578219 -0.935117
O 1.673500 1.655009 -1.277373
O -5.542573 1.287764 0.476502
N -0.287316 0.387501 0.157969
N 3.271153 1.051072 0.314432
C -2.571814 0.926166 0.796613
C -3.421052 0.318580 -0.291586
C 1.085508 -0.102927 0.331946
C 1.325474 -1.468660 -0.382787
C -1.233976 0.307931 1.148188
C 0.505784 -2.658199 0.181731
C 2.030612 0.956348 -0.277065
C -4.918207 0.431337 -0.187208
C 0.902141 -3.002430 1.637292
C 0.673936 -3.886464 -0.744517
C 5.425145 1.185028 -0.996094
C 4.334141 1.937331 -0.198015
C 6.215986 0.110333 -0.203019
C 7.178357 -0.645683 -1.150203
C 6.995779 0.714422 0.990215
C -7.013950 -0.610713 -0.915824
C -7.440381 -1.787981 -1.784474
H -3.093582 1.425011 1.621961
H -3.038459 -0.529740 -0.868829
H 1.258594 -0.217183 1.418616
H 1.094506 -1.331675 -1.458058
H 2.406158 -1.714970 -0.315262
H -0.564892 -2.367517 0.179567
H -0.471542 0.969132 -0.672087
H 4.946205 0.711766 -1.875890
H 6.140064 1.937898 -1.389069
H 3.835925 2.671718 -0.854118
H 4.777361 2.486906 0.653175
H 0.652053 -2.179089 2.329007
H 0.354940 -3.897781 1.985548
H 1.985930 -3.222994 1.709272
H 0.357779 -3.660544 -1.780359
H 0.070583 -4.739019 -0.382072
H 1.731451 -4.214017 -0.777089
H 5.488909 -0.631599 0.194825
H 3.466237 0.472563 1.133277
H 7.726433 -1.441664 -0.612808
H 6.631226 -1.113537 -1.989756
H 7.927143 0.047843 -1.579689
H 7.560904 -0.069223 1.527872
H 6.331633 1.206879 1.724780
H 7.722836 1.470958 0.636457
H -7.340035 -0.713409 0.134927
H -7.379532 0.358848 -1.298921
H -7.083516 -1.664131 -2.820963
H -7.041310 -2.737147 -1.388239
H -8.543306 -1.855797 -1.802681


