%chk=000018802.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018802

0 1
 O    1.990400      0.8103000     -0.1280000    
 O   -2.048200      0.4264000      -1.279200    
 O   0.2011000       2.214900      9.5299996E-02
 N   5.3599998E-02 -6.6900000E-02  0.5722000    
 C   0.9165000      -1.201000      0.4282000    
 C    2.273500     -0.5525000      0.2468000    
 C   -1.343200     -0.2078000      0.9223000    
 C   -2.185300     -0.5914000     -0.2895000    
 C   0.6834000       1.094000      0.1826000    
 C    3.114700      -1.209000     -0.8318000    
 C   -3.656700     -0.7171000      8.1000000E-02
 H   0.5999000      -1.774100     -0.4492000    
 H   0.8772000      -1.840100       1.315100    
 H    2.827900     -0.5253000       1.192200    
 H   -1.678800      0.7597000       1.314500    
 H   -1.428900     -0.9509000       1.722200    
 H   -1.833400      -1.529900     -0.7300000    
 H    2.611600      -1.168000      -1.804200    
 H    4.064400     -0.6762000     -0.9496000    
 H    3.326800      -2.254000     -0.5876000    
 H   -3.812000      -1.502500      0.8269000    
 H   -4.047300      0.2264000      0.4781000    
 H   -4.253100     -0.9548000     -0.8064000    
 H   -2.370300       1.261500     -0.8989000    


%chk=000018802-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018802

0 1
O 1.891802 0.859981 -0.143172
O -1.868983 0.162791 -1.385004
O -0.073248 2.127914 0.111642
N 0.044626 -0.160728 0.726515
C 0.946867 -1.284222 0.424285
C 2.300308 -0.546339 0.211515
C -1.385035 -0.300281 1.015726
C -2.246717 -0.661978 -0.228352
C 0.540663 1.042417 0.228610
C 3.181654 -1.100878 -0.901414
C -3.747155 -0.542080 0.094658
H 0.633994 -1.819523 -0.495900
H 0.996433 -2.003247 1.260857
H 2.853682 -0.471439 1.166663
H -1.724694 0.674375 1.414711
H -1.526951 -1.060799 1.806018
H -2.021456 -1.693468 -0.558522
H 2.635785 -1.108824 -1.860345
H 4.088348 -0.484642 -1.020773
H 3.493162 -2.134656 -0.661481
H -4.045158 -1.240841 0.899749
H -3.998762 0.485803 0.417224
H -4.340711 -0.774514 -0.805314
H -1.744654 1.106879 -1.094896


