%chk=000128892.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128892

0 1
 O    3.264100       2.769800      0.3580000    
 O    5.857200      0.4183000       1.106000    
 O    4.526100      -1.110100      -1.510600    
 O   -5.789200       1.568500      1.8999999E-02
 O   -3.956300       2.768500     -0.1762000    
 N   -4.544100       1.671300     -4.8599999E-02
 C    3.796800       1.539200      0.7436000    
 C    2.757500       1.726600     -0.4467000    
 C    4.826300      0.6555000      0.1504000    
 C    1.885900      0.5202000     -0.2418000    
 C    4.135500     -0.7185000     -0.1946000    
 C    2.594200     -0.7169000     -0.1574000    
 C   0.4780000      0.5321000     -0.1774000    
 C  -0.2172000     -0.6947000     -3.2699998E-02
 C    1.892900      -1.916800     -2.3399999E-02
 C   0.4938000      -1.918400      4.2100001E-02
 C   -1.634900     -0.7047000      3.4100000E-02
 C  -0.2648000       1.722400     -0.2557000    
 C   -2.357700      0.5080000     -4.4000000E-02
 C   -2.331700      -1.928100      0.1775000    
 C  -0.2145000      -3.118600      0.1833000    
 C   -1.658900       1.711100     -0.1891000    
 C   -1.607900      -3.123900      0.2508000    
 C   -3.758500      0.4833000      2.3900000E-02
 C   -3.732600      -1.921100      0.2429000    
 C   -4.440000     -0.7233000      0.1667000    
 H    3.472900       1.187300       1.718600    
 H    3.102300       1.821200      -1.474500    
 H    5.299000       1.095100     -0.7361000    
 H    4.500900      -1.487200      0.4980000    
 H    2.444800      -2.852900      3.9099999E-02
 H    6.271400       1.275400       1.305600    
 H   0.2378000       2.681400     -0.3688000    
 H    4.034300      -1.912900      -1.753300    
 H   0.3129000      -4.068800      0.2433000    
 H   -2.024200       2.719300     -0.2676000    
 H   -2.121900      -4.076700      0.3609000    
 H   -4.286100      -2.851400      0.3533000    
 H   -5.524200     -0.7819000      0.2229000    


%chk=000128892-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128892

0 1
O 3.343565 2.894133 0.316454
O 5.860143 0.116804 1.303407
O 4.517971 -0.724557 -1.741796
O -6.033933 1.424424 -0.037001
O -4.270322 2.831421 -0.270710
N -4.757931 1.642200 -0.109048
C 3.869823 1.512554 0.675531
C 2.892330 1.651415 -0.445556
C 4.986600 0.586513 0.229701
C 1.888574 0.555443 -0.250612
C 4.183046 -0.683934 -0.292763
C 2.637160 -0.672007 -0.135169
C 0.477240 0.571772 -0.195163
C -0.234712 -0.669818 -0.014760
C 1.932531 -1.876541 0.042698
C 0.508266 -1.901309 0.104130
C -1.672776 -0.676046 0.048991
C -0.282201 1.792205 -0.297829
C -2.418208 0.567500 -0.069142
C -2.356025 -1.935212 0.233165
C -0.209542 -3.138068 0.293667
C -1.664794 1.795797 -0.243708
C -1.591917 -3.152737 0.354323
C -3.850298 0.472727 -0.000961
C -3.777207 -1.954163 0.293749
C -4.509560 -0.771024 0.177276
H 3.446110 1.212666 1.645726
H 3.327704 1.681024 -1.455542
H 5.555014 0.981736 -0.635601
H 4.597251 -1.572628 0.221464
H 2.481935 -2.820297 0.156524
H 6.433812 0.863118 1.610501
H 0.261549 2.734994 -0.420877
H 4.032692 -1.482318 -2.159651
H 0.361320 -4.068805 0.388988
H -2.214009 2.731542 -0.329713
H -2.133295 -4.094354 0.497274
H -4.297209 -2.907791 0.432974
H -5.600795 -0.770778 0.220558


