%chk=000030829.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030829

0 1
 O    3.529500      -1.049900      0.6993000    
 O   -3.529500      -1.049900     -0.6993000    
 N    0.000000     -0.1736000       0.000000    
 C    2.437200     -0.1595000      0.4669000    
 C   -2.437300     -0.1596000     -0.4669000    
 C    1.183700     -0.9992000      0.1971000    
 C   -1.183800     -0.9991000     -0.1970000    
 C    2.799700      0.7605000     -0.7058000    
 C   -2.799600      0.7606000      0.7058000    
 C    4.088000       1.534800     -0.4559000    
 C   -4.088000       1.534900      0.4558000    
 H    2.302700      0.4333000       1.379100    
 H   -2.301600      0.4334000      -1.378800    
 H    1.356800      -1.632300     -0.6829000    
 H    1.037700      -1.684100       1.042700    
 H   -1.356300      -1.640300      0.6775000    
 H   -1.036200      -1.676800      -1.048000    
 H  -0.1251000      0.4292000      0.8118000    
 H    2.932700      0.1667000      -1.618400    
 H    1.989900       1.474400     -0.8934000    
 H   -2.930200      0.1680000       1.619500    
 H   -1.997500       1.482400      0.8919000    
 H    4.287900       2.211500      -1.292900    
 H    4.947200      0.8641000     -0.3570000    
 H    4.012100       2.136300      0.4555000    
 H   -4.287800       2.212000       1.292500    
 H   -4.947000      0.8641000      0.3576000    
 H   -4.012500       2.135900     -0.4559000    
 H    3.663600      -1.576100     -0.1075000    
 H   -3.664100      -1.575600      0.1078000    


%chk=000030829-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000030829

0 1
O 3.688418 -1.082061 0.728352
O -3.540382 -0.959664 -0.885398
N 0.016146 -0.341429 0.250620
C 2.505558 -0.243890 0.426512
C -2.399621 -0.145687 -0.404792
C 1.258672 -1.145424 0.261791
C -1.215236 -1.085779 -0.083024
C 2.749780 0.675870 -0.785230
C -2.818941 0.755031 0.776966
C 3.855647 1.722284 -0.537751
C -3.963139 1.724659 0.413516
H 2.397401 0.367677 1.343602
H -2.137253 0.478571 -1.276166
H 1.323163 -1.684577 -0.706155
H 1.287391 -1.915662 1.069437
H -1.533683 -1.799840 0.723416
H -1.018314 -1.693048 -0.985854
H -0.085113 0.187880 1.127691
H 3.013247 0.042202 -1.660244
H 1.790946 1.168772 -1.034313
H -3.120625 0.109003 1.630250
H -1.939984 1.340821 1.114017
H 4.067706 2.305943 -1.452084
H 4.792098 1.234904 -0.212016
H 3.555144 2.433963 0.254034
H -4.300919 2.297575 1.296080
H -4.824898 1.169338 0.004013
H -3.634902 2.447334 -0.356359
H 3.929509 -1.581625 -0.094049
H -3.825615 -1.557040 -0.145763


