%chk=000005272.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005272

0 1
 O   -4.070500       2.047900     -0.4693000    
 O   0.8314000       2.144300      -1.394000    
 N   -1.047600      0.4559000      -2.499100    
 N   8.0300003E-02  8.9999998E-04  -1.835200    
 N    2.040700      0.2642000     -0.6778000    
 C   -3.620300     -6.7299999E-02  0.2846000    
 C   -2.360100      0.4791000     -0.4231000    
 C   -4.334600       1.227800      0.6980000    
 C   -2.625100       1.994400     -0.3968000    
 C   -3.598300       2.024800       1.772400    
 C   -2.383900       2.549700       1.007200    
 C   -3.316900      -1.037000       1.416000    
 C   -2.250000     -4.6500001E-02  -1.852200    
 C   -2.602200      -2.256400      0.9139000    
 C   -1.378100      -2.623600       1.320400    
 C  -0.6666000      -3.849100      0.8253000    
 C   0.9817000      0.9275000      -1.305100    
 C   0.6805000      -3.491200      0.1942000    
 C    1.390500      -4.735300     -0.3403000    
 C    2.712300      -4.381200      -1.002800    
 C    3.155800      0.8337000     -2.0600000E-02
 C    4.123400      8.7000001E-03  0.5531000    
 C    3.288700       2.220300      5.3500000E-02
 C    5.223500      0.5702000       1.201000    
 C    4.389000       2.781700      0.7015000    
 C    5.356400       1.956600       1.275200    
 H   -4.258300     -0.5742000     -0.4540000    
 H   -1.453700      0.2449000      0.1468000    
 H   -5.406100       1.111500      0.8778000    
 H   -2.153500       2.581200      -1.188100    
 H   -4.211300       2.876200       2.092100    
 H   -3.338900       1.454300       2.666200    
 H   -1.431300       2.227000       1.437600    
 H   -2.403100       3.645300      0.9977000    
 H   -4.254200      -1.351100       1.890200    
 H   -2.717100     -0.5576000       2.196900    
 H   -3.118500      0.2694000      -2.442500    
 H   -2.248900      -1.143600      -1.859800    
 H   -3.128700      -2.868200      0.1854000    
 H  -0.9971000      9.0099998E-02  -3.449300    
 H  -0.8562000      -2.018700       2.058000    
 H   0.2525000     -0.9974000      -1.801000    
 H  -0.5079000      -4.525500       1.673600    
 H   -1.284100      -4.388900      9.7099997E-02
 H    1.319700      -2.987900      0.9305000    
 H   0.5224000      -2.787300     -0.6296000    
 H   0.7505000      -5.245800      -1.069400    
 H    1.574600      -5.439300      0.4795000    
 H    2.012300     -0.7522000     -0.6921000    
 H    3.389100      -3.895800     -0.2923000    
 H    2.558000      -3.702500      -1.847800    
 H    3.203300      -5.284700      -1.377400    
 H    4.031500      -1.073400      0.5024000    
 H    2.582800       2.923300     -0.3653000    
 H    5.976800     -7.1999997E-02   1.647800    
 H    4.493700       3.861300      0.7601000    
 H    6.213100       2.393800       1.779700    


%chk=000005272-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005272

0 1
O -4.309603 1.994025 -0.649747
O 0.683476 2.042713 -1.068635
N -1.098068 0.441854 -2.585425
N 0.140893 -0.007115 -2.114090
N 2.153414 0.191491 -0.961977
C -3.639444 -0.056788 0.330200
C -2.427992 0.558512 -0.465605
C -4.501813 1.215783 0.615436
C -2.809955 2.063504 -0.525408
C -3.840627 2.146424 1.670070
C -2.618174 2.722590 0.865743
C -3.239922 -0.910155 1.564015
C -2.290739 -0.056442 -1.871065
C -2.517635 -2.183605 1.172141
C -1.226351 -2.472024 1.484025
C -0.470413 -3.712678 1.056036
C 0.969455 0.848003 -1.349837
C 0.740950 -3.380781 0.141593
C 1.600737 -4.613834 -0.215179
C 2.796548 -4.265469 -1.127477
C 3.191370 0.682632 -0.124009
C 4.273230 -0.198448 0.155934
C 3.192839 1.990198 0.433862
C 5.337820 0.216268 0.980762
C 4.266182 2.387414 1.260514
C 5.341940 1.514390 1.542597
H -4.229941 -0.699847 -0.355170
H -1.481330 0.414733 0.086147
H -5.576930 1.027278 0.753598
H -2.389849 2.606516 -1.381138
H -4.545235 2.947387 1.950350
H -3.544251 1.618234 2.592557
H -1.641364 2.458684 1.306139
H -2.673003 3.820939 0.787872
H -4.159416 -1.161621 2.134558
H -2.592621 -0.318785 2.238701
H -3.174139 0.229112 -2.474343
H -2.287841 -1.171341 -1.782959
H -3.095180 -2.907618 0.573402
H -1.150076 0.459544 -3.608339
H -0.653067 -1.743773 2.081512
H 0.312352 -1.024065 -2.073899
H -0.089126 -4.248647 1.950829
H -1.150715 -4.411758 0.530798
H 1.375871 -2.619632 0.641809
H 0.359805 -2.914320 -0.793080
H 0.964154 -5.374797 -0.710180
H 1.972166 -5.078842 0.720150
H 2.303295 -0.752441 -1.327366
H 3.471412 -3.539557 -0.633244
H 2.454112 -3.821162 -2.082669
H 3.395095 -5.161139 -1.373721
H 4.280183 -1.208360 -0.276482
H 2.368181 2.668259 0.207478
H 6.163176 -0.475355 1.184079
H 4.259147 3.397882 1.685100
H 6.168413 1.838331 2.183840


