%chk=000031477.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031477

0 1
 O    1.513200       1.638900     -0.2927000    
 O    4.219100       2.276000     -0.2294000    
 O   -3.807400      0.2033000     -4.4399999E-02
 O   -3.160400      -1.884400      0.7937000    
 N    3.336100      -1.150700      0.8610000    
 C    3.687800       1.294400      0.6654000    
 C    3.884600     -8.5299999E-02  3.2900002E-02
 C    3.485900      -2.445400      0.2108000    
 C    2.223800       1.629900      0.9415000    
 C   0.1936000       1.276800     -0.2454000    
 C  -0.4123000      0.6637000      -1.337900    
 C   -1.757900      0.3023000      -1.271000    
 C   -1.879100       1.170600      0.9803000    
 C   -2.491300      0.5558000     -0.1118000    
 C    2.761800      -2.449700      -1.132500    
 C    2.947000      -3.539300       1.127200    
 C  -0.5335000       1.532100      0.9134000    
 C   0.3806000      0.3952000      -2.577300    
 C   -2.419700     -0.3572000      -2.439000    
 C   -2.647200       1.450600       2.229900    
 C   -4.026700      -1.093500      0.4449000    
 C   -5.497800      -1.384200      0.4803000    
 H    4.251900       1.362400       1.603200    
 H    3.426900     -4.3900002E-02 -0.9601000    
 H    4.957400     -0.2478000     -0.1346000    
 H    4.549400      -2.655600      3.9400000E-02
 H    2.159600       2.636000       1.372900    
 H    1.825600      0.9017000       1.658500    
 H    3.803700      -1.157100       1.767000    
 H  -9.3199998E-02   2.040000       1.766500    
 H    2.681600      -3.473800      -1.516100    
 H    1.741800      -2.058500      -1.046100    
 H    3.294500      -1.882100      -1.901500    
 H    3.478900      -3.549000       2.085200    
 H    3.074000      -4.526400      0.6696000    
 H    1.879700      -3.399800       1.333800    
 H    1.455900      0.5366000      -2.432700    
 H   6.7800000E-02   1.071000      -3.380100    
 H   0.2533000     -0.6418000      -2.906100    
 H   -2.134400      -1.413100      -2.485700    
 H   -3.512100     -0.3050000      -2.391400    
 H   -2.145700      0.1308000      -3.380200    
 H    5.161700       2.074600     -0.3585000    
 H   -3.604300       1.929900       1.998500    
 H   -2.833900      0.5207000       2.776400    
 H   -2.105200       2.129400       2.897200    
 H   -5.998400     -0.6727000       1.141700    
 H   -5.658900      -2.394300      0.8674000    
 H   -5.909300      -1.326900     -0.5303000    


%chk=000031477-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000031477

0 1
O 1.495854 0.878915 -0.303229
O 3.922279 2.503079 -0.250072
O -4.118625 0.406809 -0.277451
O -4.187179 -1.670036 0.817371
N 4.211119 -1.100392 0.872226
C 3.710605 1.321136 0.601158
C 4.244957 0.032943 -0.068949
C 4.057367 -2.462225 0.285513
C 2.219192 1.253197 0.918556
C 0.096810 0.768119 -0.231422
C -0.560875 0.479904 -1.461411
C -1.974731 0.329585 -1.458636
C -2.038741 0.782090 0.987045
C -2.675731 0.477992 -0.236061
C 2.596961 -2.698244 -0.158959
C 4.489228 -3.504041 1.337374
C -0.632731 0.926977 0.970510
C 0.240957 0.331382 -2.740477
C -2.711621 0.016867 -2.747462
C -2.822436 0.945015 2.274221
C -4.777589 -0.712081 0.282184
C -6.273800 -0.538061 0.132982
H 4.237709 1.460365 1.574257
H 3.602317 -0.192355 -0.935504
H 5.271852 0.241627 -0.466951
H 4.718161 -2.582006 -0.609595
H 1.871604 2.242986 1.274567
H 2.063022 0.484335 1.700452
H 4.984677 -1.066846 1.548834
H -0.122375 1.160057 1.909011
H 2.503186 -3.666936 -0.684451
H 1.930057 -2.704532 0.721963
H 2.242845 -1.902321 -0.837772
H 5.556943 -3.389298 1.608231
H 4.346071 -4.528660 0.951907
H 3.882080 -3.390853 2.254671
H 1.276349 0.671287 -2.588744
H -0.202759 0.920053 -3.564547
H 0.269542 -0.723749 -3.078133
H -2.358672 -0.935578 -3.186026
H -3.796556 -0.058326 -2.579789
H -2.538579 0.803057 -3.506732
H 4.842646 2.472628 -0.616935
H -3.716409 1.577566 2.124166
H -3.170860 -0.036295 2.647224
H -2.200693 1.407871 3.058859
H -6.613532 0.319111 0.741056
H -6.789120 -1.450625 0.465045
H -6.532281 -0.316296 -0.916277


