%chk=000005582.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005582

1 1
 O    4.834000      -2.336800     -0.8569000    
 O    4.604100       2.213500      0.6204000    
 O    6.068500      0.1034000     -0.4166000    
 N   0.6743000     -0.5564000      0.7757000    
 N   -5.683000      0.3103000      -1.376700    
 N   -5.644900     -0.7880000      0.7351000    
 N   -3.877100       1.353300      -2.368200    
 N   -7.625700     -0.6724000     -0.5775000    
 C   -1.607200      0.1732000       1.129100    
 C   -2.300700      0.5707000     -1.0200000E-02
 C   -3.660700      0.2534000     -0.1549000    
 C  -0.1601000      0.4923000       1.318600    
 C   -4.342700     -0.4701000      0.8473000    
 C   -2.269100     -0.5396000       2.122200    
 C   -4.389100      0.6353000      -1.283300    
 C   -3.623000     -0.8540000       1.975300    
 C   -1.519000       1.335000      -1.036700    
 C    2.016700     -0.3923000      0.4792000    
 C   -6.263900     -0.3763000     -0.3899000    
 C    2.660000      0.8411000      0.6967000    
 C    2.775900      -1.454100     -4.8500001E-02
 C    4.128300      -1.288600     -0.3475000    
 C    4.012400       1.006700      0.3975000    
 C    4.746500     -5.8200002E-02 -0.1247000    
 C    4.864400      -2.468600      -2.276700    
 C    4.580400       3.154500     -0.4510000    
 C    7.000600     -0.1871000      0.6222000    
 H   6.3100003E-02   1.495500      0.9427000    
 H   4.8200000E-02  0.5682000       2.395200    
 H   -1.748000     -0.8631000       3.019600    
 H   -4.116900      -1.413500       2.767500    
 H   0.2754000      -1.480000      0.6451000    
 H   -1.655700      0.9147000      -2.037400    
 H   -1.761300       2.401300     -0.9973000    
 H  -0.4336000       1.264900     -0.9444000    
 H   -6.223000      0.5847000      -2.195100    
 H    2.134100       1.693700       1.116600    
 H    2.303000      -2.418300     -0.2257000    
 H   -3.372200       2.205100      -2.162200    
 H   -4.491300       1.446400      -3.170700    
 H   -8.119900      -1.190000      0.1366000    
 H   -8.105300     -0.3708000      -1.414600    
 H    3.853900      -2.619600      -2.669300    
 H    5.471100      -3.343200      -2.526700    
 H    5.318200      -1.585000      -2.736400    
 H    3.549100       3.413300     -0.7111000    
 H    5.096300       4.060800     -0.1225000    
 H    5.100000       2.754200      -1.327400    
 H    6.835700      0.4690000       1.482600    
 H    8.008600     -1.0800000E-02  0.2369000    
 H    6.922100      -1.234900      0.9287000    


%chk=000005582-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005582

1 1
O 4.760875 -2.216318 -1.113009
O 4.545338 2.348378 0.831490
O 6.163749 0.190310 -0.301934
N 0.549155 -0.366350 0.388892
N -6.108216 0.148926 -1.217430
N -5.891118 -0.661807 1.014626
N -4.421793 1.100227 -2.503201
N -7.971167 -0.769054 -0.059562
C -1.752504 0.281954 1.007847
C -2.464109 0.518058 -0.193034
C -3.890432 0.241167 -0.213550
C -0.265972 0.593022 1.143633
C -4.540954 -0.326655 0.964085
C -2.419302 -0.252399 2.152494
C -4.770315 0.504197 -1.328381
C -3.779307 -0.565757 2.135095
C -1.703587 1.034885 -1.408830
C 1.941873 -0.196969 0.209963
C -6.642481 -0.440884 -0.051859
C 2.597867 1.010212 0.559465
C 2.688537 -1.249453 -0.387483
C 4.071765 -1.103063 -0.593808
C 3.991315 1.153355 0.354003
C 4.755408 0.085579 -0.195288
C 5.571224 -1.977383 -2.332674
C 5.540419 3.052796 -0.011375
C 6.895453 -0.635115 0.696220
H -0.055951 1.612002 0.762801
H 0.000697 0.611462 2.223554
H -1.836831 -0.424332 3.064264
H -4.291698 -0.990968 3.001095
H 0.203357 -1.327651 0.362670
H -1.860963 0.394207 -2.298802
H -1.959199 2.088267 -1.649909
H -0.620388 1.001195 -1.228465
H -6.732016 0.345655 -2.006019
H 2.081022 1.851657 1.027623
H 2.214850 -2.185652 -0.701007
H -3.465634 1.411989 -2.655786
H -5.093971 1.256427 -3.254833
H -8.345037 -1.183715 0.793353
H -8.591765 -0.642341 -0.855603
H 4.908827 -1.702778 -3.175158
H 6.064193 -2.938433 -2.541292
H 6.317454 -1.182749 -2.164004
H 5.070395 3.369952 -0.961768
H 5.829323 3.936012 0.577464
H 6.410588 2.411046 -0.217969
H 6.645253 -0.301416 1.719706
H 7.963445 -0.465470 0.492142
H 6.643830 -1.703425 0.570249


