%chk=000028617.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028617

0 1
 O    1.588300      3.0000001E-04 -0.9658000    
 O   -3.726600     -3.9999999E-04  0.5061000    
 O    2.166000      1.3000000E-03   1.286400    
 N    3.801000       0.000000     -0.3596000    
 C   -1.739500      -1.208100     -4.4000000E-02
 C   -1.740100       1.208000     -4.3699998E-02
 C   -2.412100     -1.9999999E-04  0.1421000    
 C   0.2767000      1.9999999E-04 -0.6017000    
 C  -0.3952000      -1.207900     -0.4158000    
 C  -0.3956000       1.208100     -0.4157000    
 C   -2.441200      -2.511800      0.1510000    
 C   -2.442500       2.511200      0.1506000    
 C    2.502100     -1.9999999E-04  0.1058000    
 C    4.958600     -5.0000002E-04  0.5042000    
 H   0.1378000      -2.144000     -0.5640000    
 H   0.1368000       2.144600     -0.5638000    
 H   -2.802700      -2.605800       1.180500    
 H   -3.281100      -2.606600     -0.5453000    
 H   -1.774200      -3.361300     -3.3500001E-02
 H   -3.286300       2.595400     -0.5421000    
 H   -2.811300       2.594900       1.178300    
 H   -1.780500       3.364600     -3.1800002E-02
 H   -4.067200     -0.9032000      0.6000000    
 H    3.951300      9.9999997E-05  -1.363800    
 H    4.670300     -3.4000000E-03   1.557900    
 H    5.549000      0.8921000      0.2835000    
 H    5.551500     -0.8904000      0.2792000    


%chk=000028617-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028617

0 1
O 1.664321 0.039699 -0.844702
O -3.824748 0.060626 0.392769
O 2.377254 -0.146511 1.420437
N 3.882491 0.029511 -0.382511
C -1.760226 -1.238324 -0.028175
C -1.788856 1.252663 -0.049307
C -2.444144 0.001771 0.102738
C 0.281940 0.022129 -0.473471
C -0.377392 -1.210146 -0.321872
C -0.406401 1.242861 -0.340424
C -2.504208 -2.550887 0.148100
C -2.566816 2.542160 0.104524
C 2.639136 -0.036418 0.201781
C 5.117098 -0.025177 0.403313
H 0.186238 -2.142656 -0.427987
H 0.136685 2.185475 -0.463605
H -2.940569 -2.650316 1.163039
H -3.324658 -2.670728 -0.588768
H -1.822814 -3.405986 0.010249
H -3.401441 2.592671 -0.618636
H -3.022384 2.612315 1.109305
H -1.915409 3.419253 -0.047344
H -4.200280 -0.847832 0.501232
H 3.916248 0.122574 -1.397778
H 4.839399 -0.126007 1.464448
H 5.713751 0.897921 0.280862
H 5.739087 -0.893641 0.116780


