%chk=000027339.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027339

1 1
 O   0.2984000      -1.128800      0.5425000    
 O    5.935100      1.2200000E-02  -2.372000    
 N    3.959200     -0.6330000      0.7415000    
 C  -0.7569000     -0.4544000     -0.1147000    
 C   -2.737400      0.7733000      -1.343800    
 C  -0.5290000     -0.4603000      -1.655500    
 C   -1.700200      0.2679000      -2.381700    
 C  -0.8963000       1.019100      0.2820000    
 C   -2.115600      -1.126100      0.1042000    
 C   -1.965400       1.675300     -0.3868000    
 C   -3.179500     -0.4591000     -0.5620000    
 C    1.560600     -0.5304000      0.2674000    
 C  -0.1161000       1.712900       1.198100    
 C   -2.369900      -2.260000      0.8649000    
 C    2.650900      -1.284800       1.002400    
 C   -2.244400       3.013100     -0.1427000    
 C   -4.483200     -0.9261000     -0.4671000    
 C    4.293100     -0.6621000     -0.7562000    
 C  -0.3985000       3.059700       1.439600    
 C   -3.683100      -2.728100      0.9566000    
 C   -1.452100       3.704000      0.7750000    
 C   -4.729800      -2.067600      0.2968000    
 C    3.938300      0.8322000       1.197700    
 C    5.085600      -1.352200       1.496000    
 C    5.636200      3.4000000E-03 -0.9824000    
 H   -3.576700       1.289600      -1.819600    
 H  -0.4314000      -1.486900      -2.032300    
 H   0.3858000      6.3600004E-02  -1.955500    
 H   -1.304900       1.107300      -2.968000    
 H   -2.172700     -0.4233000      -3.091100    
 H    1.630700      0.5414000      0.3561000    
 H    1.746200     -0.7510000     -0.7850000    
 H   0.6229000       1.243500       1.837100    
 H   -1.573400      -2.782800       1.383900    
 H    2.704000      -2.332200      0.6805000    
 H    2.463100      -1.278600       2.083200    
 H   -3.061600       3.516600     -0.6486000    
 H   -5.298400     -0.4191000     -0.9726000    
 H    4.289500      -1.704800      -1.094000    
 H    3.536500     -0.1075000      -1.318100    
 H   0.1856000       3.608700       2.173800    
 H   -3.897600      -3.614700       1.547500    
 H   -1.658500       4.750000      0.9849000    
 H   -5.743600      -2.449300      0.3835000    
 H    3.383600      0.8899000       2.139800    
 H    4.961100       1.174700       1.381200    
 H    3.475400       1.460300      0.4316000    
 H    4.760000      -1.477100       2.533900    
 H    5.240600      -2.332100       1.035000    
 H    6.000200     -0.7552000       1.489000    
 H    5.674600       1.044200     -0.6538000    
 H    6.460600     -0.5389000     -0.5155000    
 H    5.235200      0.5174000      -2.819900    


%chk=000027339-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027339

1 1
O 0.371343 -0.744327 0.309249
O 6.148630 -1.043356 -2.381326
N 4.109916 -0.490137 0.726223
C -0.834435 -0.129048 -0.292147
C -3.075547 0.846962 -1.220410
C -0.733037 0.020509 -1.857029
C -2.078046 0.598498 -2.412921
C -1.163879 1.253975 0.283427
C -2.031823 -1.039018 -0.017978
C -2.372605 1.786498 -0.244874
C -3.247081 -0.500941 -0.521458
C 1.656203 -0.234187 -0.154682
C -0.438428 1.963965 1.258482
C -2.006103 -2.284834 0.633066
C 2.611075 -0.846441 0.886282
C -2.826857 3.050892 0.174904
C -4.447462 -1.220662 -0.372506
C 4.577171 -0.892211 -0.685928
C -0.900438 3.234009 1.684564
C -3.218376 -3.002166 0.788218
C -2.083569 3.779693 1.136289
C -4.431083 -2.474130 0.288361
C 4.316038 1.005799 0.967868
C 4.877357 -1.278533 1.789038
C 6.094437 -0.822386 -0.938585
H -4.030801 1.256674 -1.587295
H -0.522196 -0.974416 -2.288902
H 0.099622 0.700151 -2.116569
H -1.900888 1.548736 -2.945955
H -2.535673 -0.109318 -3.125099
H 1.678963 0.874642 -0.148351
H 1.874710 -0.593422 -1.179330
H 0.447276 1.516944 1.725390
H -1.063470 -2.685838 1.015407
H 2.533668 -1.946252 0.842314
H 2.306294 -0.515121 1.893724
H -3.759697 3.462303 -0.226684
H -5.387880 -0.813072 -0.760330
H 4.219593 -1.919488 -0.867361
H 4.084345 -0.217401 -1.403657
H -0.351053 3.788847 2.453118
H -3.217352 -3.970618 1.300073
H -2.438603 4.759869 1.471724
H -5.363030 -3.035401 0.414927
H 3.872316 1.270327 1.939921
H 5.392297 1.230646 0.979254
H 3.826400 1.576691 0.166495
H 4.437215 -1.064626 2.774928
H 4.791711 -2.353498 1.569246
H 5.934016 -0.974779 1.783919
H 6.513398 0.169221 -0.666385
H 6.640346 -1.611158 -0.382972
H 7.081873 -1.155266 -2.690877


