%chk=000009649.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009649

0 1
 O    3.974100      -1.888800     -7.7399999E-02
 O  -0.4994000      -3.699400      0.1906000    
 O   -4.685600       1.654000      8.5299999E-02
 O   -5.018100      -1.093500      0.1600000    
 N    1.609900       2.796000      0.4555000    
 N  -0.1654000      -1.470500     -0.3643000    
 C   0.2462000      0.8596000     -0.1170000    
 C   0.6802000     -0.4070000     -0.8792000    
 C   0.9549000       2.113300     -0.7032000    
 C    2.158700     -0.6774000      -1.003100    
 C    2.958700      0.6378000      -1.123000    
 C    2.036400       1.726700      -1.741800    
 C   0.5585000      0.9141000       1.398200    
 C   -1.245300      0.5568000     -0.2018000    
 C   0.8635000       2.376000       1.642100    
 C    2.568100      -1.707000      4.0100001E-02
 C    3.510900       1.127100      0.1938000    
 C    3.066200       2.528200      0.5808000    
 C   -1.426200     -0.8591000     -0.1949000    
 C    1.761000      -2.987300     -0.2470000    
 C   0.2411000      -2.767100     -0.1191000    
 C   -2.327300       1.409900     -0.1148000    
 C    4.308200      0.3835000      0.9850000    
 C    4.726100      -1.064100      0.8251000    
 C   -2.672100      -1.431600     -4.8400000E-02
 C   -3.596900      0.8353000     -6.3999998E-03
 C   -3.765400     -0.5643000      3.6899999E-02
 C   -5.324700       2.016800      -1.135400    
 C   -5.496200      -1.317900       1.483300    
 H   0.3368000     -0.3019000      -1.926800    
 H   0.2290000       2.799300      -1.153500    
 H    2.307500      -1.166900      -1.980500    
 H    3.803200      0.4827000      -1.807900    
 H    2.618600       2.608600      -2.040600    
 H    1.574200       1.362800      -2.667800    
 H    1.422500      0.3118000       1.674100    
 H  -0.2620000      0.5891000       2.049300    
 H  -6.7400001E-02   2.953300       1.701000    
 H    1.399300       2.542200       2.582700    
 H    2.319800      -1.410600       1.064000    
 H    3.407300       2.789700       1.590700    
 H    3.590000       3.237800     -7.3600002E-02
 H    2.059100      -3.764600      0.4663000    
 H    1.976900      -3.379100      -1.247800    
 H   -2.195000       2.485900     -9.2100002E-02
 H    4.676400      0.8420000       1.902000    
 H    5.773800      -1.101300      0.5097000    
 H    4.673800      -1.545100       1.809400    
 H   -2.814500      -2.505600     -3.3399999E-02
 H   -5.697200       1.128500      -1.655300    
 H   -4.633600       2.567700      -1.781100    
 H   -6.173400       2.664500     -0.8989000    
 H   -5.539500     -0.3784000       2.043300    
 H   -4.857200      -2.037100       2.005400    
 H   -6.506200      -1.731700       1.417400    


%chk=000009649-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000009649

0 1
O 4.076412 -1.958143 -0.078150
O -0.523663 -3.645918 0.253831
O -4.735011 1.724140 0.128715
O -5.077045 -1.162927 0.058248
N 1.703218 2.804284 0.515940
N -0.134915 -1.470318 -0.489429
C 0.295700 0.844564 -0.124757
C 0.746997 -0.376498 -0.974739
C 1.033517 2.146942 -0.672364
C 2.236819 -0.691159 -1.064181
C 3.041177 0.656031 -1.126155
C 2.121696 1.771942 -1.714610
C 0.640380 0.834052 1.413005
C -1.221326 0.583711 -0.224528
C 0.931183 2.328122 1.697716
C 2.630056 -1.702341 0.023771
C 3.601220 1.111642 0.227609
C 3.182786 2.535314 0.610440
C -1.411373 -0.838034 -0.300268
C 1.814022 -2.991752 -0.199027
C 0.285679 -2.749388 -0.131543
C -2.335693 1.420822 -0.083919
C 4.399434 0.345070 1.023182
C 4.873243 -1.089939 0.820015
C -2.679312 -1.426145 -0.184942
C -3.632637 0.848392 -0.017610
C -3.794903 -0.568158 -0.028683
C -5.713192 1.680092 -0.983953
C -5.750282 -0.970436 1.364241
H 0.392606 -0.143730 -2.001663
H 0.298885 2.852352 -1.105045
H 2.417277 -1.212820 -2.025551
H 3.896999 0.493951 -1.808594
H 2.709583 2.674856 -1.959223
H 1.662925 1.438027 -2.662849
H 1.547095 0.248937 1.627998
H -0.187559 0.425317 2.015116
H -0.013756 2.902276 1.762418
H 1.495689 2.500079 2.629775
H 2.406278 -1.318354 1.037412
H 3.500423 2.779276 1.639417
H 3.697087 3.257077 -0.054962
H 2.043429 -3.749873 0.567930
H 2.074658 -3.433855 -1.180419
H -2.246448 2.510509 -0.026148
H 4.755675 0.783398 1.969046
H 5.892685 -1.116181 0.387833
H 4.926117 -1.575306 1.820067
H -2.816136 -2.508989 -0.199172
H -6.113965 0.659353 -1.116405
H -5.234990 2.021089 -1.922062
H -6.514638 2.377835 -0.696832
H -5.875829 0.104474 1.588989
H -5.165887 -1.458280 2.167225
H -6.730093 -1.461683 1.263744


