%chk=000026901.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026901

0 1
 O   -1.495500       2.527000      -1.152600    
 O    4.840100     -0.7716000     -0.3130000    
 N   -3.844000      -1.635800      0.2203000    
 N  -0.9684000      0.7040000      -2.402400    
 C  -0.6285000      0.5647000      6.4999998E-02
 C  -0.8748000       1.408300       1.392400    
 C   -1.576200     -0.6977000      0.1060000    
 C   0.8766000      0.1963000     -3.9099999E-02
 C   -3.082100     -0.3903000      0.1790000    
 C   -1.100900       1.360700      -1.197400    
 C  -0.5769000      0.6469000       2.696100    
 C  -0.1342000       2.754900       1.444400    
 C    1.690000       1.039100     -0.7402000    
 C    1.295800     -0.9473000      0.5771000    
 C    3.042000      0.7089000     -0.8333000    
 C    2.647800      -1.277500      0.4839000    
 C   -3.624600      -2.411900      -1.000500    
 C   -5.269500      -1.359500      0.3994000    
 C    3.520900     -0.4494000     -0.2214000    
 C    5.262400      -1.969900      0.3362000    
 H   -1.934600       1.688200       1.420400    
 H   -1.343400      -1.345400      0.9569000    
 H   -1.345500      -1.300400     -0.7789000    
 H   -3.401200      0.2343000     -0.6634000    
 H   -3.295600      0.1629000       1.098500    
 H   0.4873000      0.4241000       2.812000    
 H   -1.145200     -0.2820000       2.778500    
 H  -0.8652000       1.260200       3.558400    
 H   0.9463000       2.612900       1.550300    
 H  -0.3038000       3.393100      0.5776000    
 H  -0.4634000       3.327600       2.320000    
 H    1.352800       1.958300      -1.205100    
 H   0.6579000      -1.607900       1.148500    
 H  -0.5907000     -0.2342000      -2.480100    
 H   -1.232500       1.157200      -3.270900    
 H    3.718600       1.360700      -1.379300    
 H    2.953900      -2.189000      0.9861000    
 H   -3.764400      -1.815300      -1.909400    
 H   -4.326700      -3.253700      -1.047800    
 H   -2.634400      -2.876500      -1.019800    
 H   -5.685600     -0.7778000     -0.4312000    
 H   -5.442100     -0.8060000       1.329200    
 H   -5.835900      -2.293600      0.4846000    
 H    6.338400      -2.070800      0.1602000    
 H    4.783100      -2.853500     -9.8600000E-02
 H    5.119900      -1.911600       1.420700    


%chk=000026901-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000026901

0 1
O -1.941258 2.353193 -1.188535
O 4.977825 -0.727331 -0.217725
N -3.898826 -1.678438 0.216232
N -0.669526 0.882888 -2.432331
C -0.679135 0.589801 0.050738
C -0.942889 1.505288 1.319767
C -1.599507 -0.688811 0.081231
C 0.809116 0.177219 -0.043059
C -3.118935 -0.418268 0.081594
C -1.131096 1.378144 -1.224168
C -0.801874 0.731090 2.651777
C -0.065901 2.779184 1.361694
C 1.782277 1.073392 -0.579352
C 1.287068 -1.062656 0.449998
C 3.147601 0.748479 -0.624354
C 2.658208 -1.410350 0.415951
C -3.858189 -2.518008 -0.999706
C -5.292260 -1.413625 0.634301
C 3.596135 -0.499548 -0.124223
C 5.489114 -1.997906 0.301076
H -1.988254 1.854000 1.215255
H -1.384438 -1.285005 0.984467
H -1.332859 -1.318916 -0.788656
H -3.416553 0.152760 -0.832192
H -3.375255 0.217470 0.948606
H 0.211254 0.299648 2.758097
H -1.537933 -0.086726 2.752820
H -0.960278 1.422357 3.500178
H 1.000318 2.537922 1.522150
H -0.167301 3.370224 0.435429
H -0.393641 3.420987 2.200649
H 1.463660 2.044396 -0.973005
H 0.588523 -1.790066 0.873953
H 0.048332 0.160586 -2.473275
H -0.991330 1.326889 -3.292114
H 3.884024 1.444005 -1.038433
H 2.972877 -2.381435 0.810198
H -4.292126 -2.007182 -1.898137
H -4.430494 -3.446509 -0.823916
H -2.820329 -2.805655 -1.238648
H -5.878889 -0.825214 -0.116789
H -5.295315 -0.851599 1.585070
H -5.818389 -2.371014 0.801809
H 6.575181 -1.961618 0.131548
H 5.055425 -2.859729 -0.243027
H 5.283845 -2.102614 1.384353


