%chk=000176974.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000176974

0 1
 O   -2.300000      0.4352000      0.8933000    
 O   0.2198000       1.165000      -1.682000    
 O   -2.157400      0.6763000      -3.209300    
 O   -4.529100       1.540000      -1.812900    
 O   -4.534400      0.8929000       2.413000    
 O    2.673400      -1.710000      -1.386500    
 O    4.448200      0.1567000      -1.164200    
 O    1.658100      -4.028700     -0.8620000    
 C   -1.054400      0.9035000      0.3697000    
 C   5.3599998E-02  0.2209000       1.165400    
 C  -0.9646000      0.5971000      -1.129300    
 C   -2.165000       1.183100      -1.873000    
 C   -3.481400      0.7955000      -1.197500    
 C   -3.426700       1.090400      0.3049000    
 C    1.394300      0.8300000      0.8084000    
 C  -1.2500000E-02  -1.278700      0.9596000    
 C    2.310400      0.1636000     -1.4800000E-02
 C   -4.669700      0.5922000       1.035800    
 C   0.9006000      -1.950400      0.1372000    
 C    2.016300      -1.206500     -0.4845000    
 C    1.722500       2.113000       1.276800    
 C   -1.035600      -2.020800       1.572700    
 C    3.519900      0.7701000     -0.3765000    
 C   0.7861000      -3.329000     -8.1699997E-02
 C    2.930000       2.715900      0.9229000    
 C    3.825800       2.046200      9.3800001E-02
 C   -1.147400      -3.395300       1.360500    
 C  -0.2394000      -4.047600      0.5308000    
 C    3.258400       4.079600       1.429400    
 H  -0.9995000       1.989100      0.5307000    
 H  -0.1039000      0.3904000       2.240800    
 H  -0.9479000     -0.4796000      -1.329200    
 H   -2.080100       2.274200      -1.953900    
 H   -3.683500     -0.2675000      -1.376300    
 H   -3.336300       2.169500      0.4894000    
 H   -4.782400     -0.4928000      0.9400000    
 H   -5.577200       1.075700      0.6630000    
 H   0.3189000      0.8230000      -2.586200    
 H    1.022200       2.645600       1.917200    
 H   -1.745800      -1.544500       2.243500    
 H   -1.381600       1.047900      -3.661700    
 H   -4.377700       2.482300      -1.626900    
 H    4.767300       2.513100     -0.1860000    
 H   -1.940900      -3.956300       1.845400    
 H  -0.3405000      -5.119000      0.3782000    
 H   -3.722900      0.4604000       2.729900    
 H    2.863500       4.838800      0.7470000    
 H    2.830700       4.244200       2.424300    
 H    4.341100       4.219000       1.519800    
 H    4.182500     -0.7550000      -1.358300    
 H    1.402000      -4.966700     -0.8768000    


%chk=000176974-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000176974

0 1
O -2.313556 0.554032 0.921297
O 0.018454 1.147499 -2.003720
O -2.523344 0.811250 -3.265030
O -4.767425 1.607294 -1.682014
O -4.478763 1.287045 2.603974
O 3.072529 -1.823260 -1.245155
O 4.575979 0.179602 -1.125502
O 1.850950 -4.140912 -0.884136
C -1.032865 0.902419 0.271811
C 0.081833 0.137842 1.079992
C -1.102961 0.572785 -1.244529
C -2.337978 1.236011 -1.874109
C -3.628240 0.872109 -1.133149
C -3.485022 1.268803 0.344892
C 1.436865 0.779838 0.812432
C 0.034879 -1.371463 0.848534
C 2.391641 0.102353 -0.006575
C -4.675954 0.866331 1.214401
C 1.030896 -2.045489 0.065716
C 2.195993 -1.289513 -0.451038
C 1.722599 2.059173 1.312516
C -1.040653 -2.095641 1.408075
C 3.629587 0.774425 -0.331415
C 0.892452 -3.460564 -0.136604
C 2.950820 2.717531 1.004771
C 3.888137 2.070953 0.176999
C -1.155807 -3.485744 1.199028
C -0.197473 -4.166717 0.427490
C 3.229058 4.100926 1.559049
H -0.850713 1.994123 0.381720
H -0.192688 0.328631 2.136450
H -1.159729 -0.525545 -1.388259
H -2.192237 2.338304 -1.832432
H -3.791707 -0.224584 -1.217589
H -3.317625 2.364449 0.424612
H -4.828285 -0.232219 1.144476
H -5.581568 1.380344 0.859282
H 0.878416 0.744708 -1.717362
H 0.990018 2.567913 1.951416
H -1.792377 -1.560618 1.991598
H -1.676074 0.993124 -3.747419
H -4.726989 1.508800 -2.669121
H 4.836961 2.546528 -0.088253
H -1.991945 -4.039502 1.638461
H -0.285812 -5.248752 0.264011
H -3.586663 0.954147 2.883425
H 2.489875 4.833905 1.184041
H 3.159494 4.108276 2.662859
H 4.233132 4.458688 1.277917
H 4.194931 -0.758027 -1.382938
H 1.636752 -5.109612 -0.910998


