%chk=000045171.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045171

0 1
 O   0.2620000       1.424100      0.3011000    
 O    2.827200       1.495200      0.9629000    
 N    4.099800      7.3399998E-02 -0.3546000    
 C  -0.6220000     -0.7803000     -7.4000000E-03
 C   0.4652000      8.3099999E-02  0.1406000    
 C   -1.979400     -0.2801000      5.4000001E-03
 C    1.765800     -0.4209000      0.1257000    
 C  -0.4037000      -2.149800     -0.1708000    
 C    1.981600      -1.789300     -3.7500001E-02
 C   0.8970000      -2.653900     -0.1861000    
 C   -2.677600     -0.1890000       1.209500    
 C   -2.590000      0.1109000      -1.186200    
 C    2.914700      0.4615000      0.2787000    
 C   -3.986500      0.2935000       1.222100    
 C   -3.898800      0.5931000      -1.173600    
 C   -4.597100      0.6848000      3.0500000E-02
 C   0.2123000       2.214700     -0.8830000    
 C    5.329400      0.8290000     -0.2774000    
 H   -1.236900      -2.839300     -0.2862000    
 H    2.976100      -2.226200     -2.4599999E-02
 H    1.064400      -3.720300     -0.3063000    
 H   -2.216400     -0.4892000       2.147500    
 H   -2.061000      4.4900000E-02  -2.134000    
 H   -4.530000      0.3648000       2.159700    
 H   -4.374400      0.8974000      -2.101400    
 H   -5.616100       1.060600      4.0199999E-02
 H    4.106000     -0.7370000     -0.9652000    
 H   0.1323000       1.609800      -1.793000    
 H    1.116800       2.827100     -0.9400000    
 H  -0.6547000       2.878400     -0.8209000    
 H    5.384800       1.375900      0.6671000    
 H    5.351500       1.534400      -1.111700    
 H    6.168800      0.1348000     -0.3589000    


%chk=000045171-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045171

0 1
O 0.033153 1.431866 0.181888
O 3.005462 1.115645 1.364424
N 4.021209 0.260963 -0.550025
C -0.731585 -0.789636 -0.195725
C 0.385668 0.096411 -0.012974
C -2.150875 -0.325812 -0.133231
C 1.722806 -0.405666 -0.070145
C -0.468115 -2.154397 -0.468760
C 1.929473 -1.783852 -0.360696
C 0.846661 -2.656048 -0.566010
C -2.609496 0.583871 0.859232
C -3.100857 -0.845243 -1.057247
C 2.940216 0.400640 0.313992
C -3.970612 0.949682 0.928990
C -4.461256 -0.474553 -0.991549
C -4.904609 0.423901 0.005771
C 0.940323 2.540295 -0.155096
C 5.329614 0.863947 -0.274861
H -1.318144 -2.835608 -0.583691
H 2.952660 -2.176895 -0.358795
H 1.020772 -3.718485 -0.762949
H -1.895868 1.000022 1.574773
H -2.764873 -1.523127 -1.850796
H -4.302817 1.645948 1.707433
H -5.171074 -0.880358 -1.721409
H -5.960123 0.713508 0.060328
H 3.885802 -0.269396 -1.411899
H 1.540849 2.301578 -1.053839
H 1.610239 2.758917 0.691382
H 0.272654 3.389967 -0.366868
H 5.255264 1.381805 0.694934
H 5.606061 1.600669 -1.051912
H 6.122519 0.095540 -0.212472


