%chk=000040936.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040936

0 1
 O    3.437100      0.6191000      0.4495000    
 O   -3.927500       1.827000       3.230200    
 O   -3.084200       2.361600       1.185500    
 N   -1.947500     -0.1887000      0.9517000    
 C    1.126700     -0.4074000      -1.006500    
 C  -0.2387000     -0.4348000     -0.4425000    
 C    1.942700      -1.247900     -6.0100000E-02
 C    1.510700       1.048700     -0.9936000    
 C   -1.411500     -0.9167000      -1.087800    
 C   -2.469400     -0.7509000     -0.1914000    
 C  -0.5998000      6.2000002E-03  0.8094000    
 C    3.042300     -0.6898000      0.6036000    
 C    2.636000       1.471100     -0.2751000    
 C   -1.675600      -1.479700      -2.352100    
 C    1.609300      -2.588600      0.1898000    
 C   0.7448000       2.006400      -1.677700    
 C   -2.699500      0.1532000       2.140000    
 C   -3.783700      -1.121500     -0.4974000    
 C    3.811600      -1.464100       1.476700    
 C    3.006500       2.818800     -0.2650000    
 C   -2.985500      -1.854900      -2.672100    
 C   -4.021700      -1.677900      -1.757400    
 C    2.375400      -3.358900       1.065300    
 C    1.113100       3.352100      -1.662600    
 C    3.478000      -2.797800       1.705400    
 C    2.245400       3.757200     -0.9595000    
 C   -3.234800       1.558100       2.093700    
 H    1.203000     -0.8064000      -2.023400    
 H  -1.7200001E-02  0.4428000       1.610500    
 H  -0.8807000      -1.625300      -3.077800    
 H   0.7653000      -3.055500     -0.3118000    
 H  -0.1322000       1.713200      -2.249500    
 H   -2.026200      5.3300001E-02   2.998300    
 H   -3.522100     -0.5588000       2.251500    
 H   -4.598700     -0.9844000      0.2050000    
 H    4.669200      -1.032000       1.985700    
 H    3.884400       3.144400      0.2870000    
 H   -3.195300      -2.289400      -3.646000    
 H   -5.031800      -1.975600      -2.027300    
 H    2.114300      -4.397800       1.244000    
 H   0.5190000       4.083100      -2.203100    
 H    4.075300      -3.398300       2.385300    
 H    2.532900       4.804400     -0.9497000    
 H   -4.289300       2.738800       3.230600    


%chk=000040936-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040936

0 1
O 3.833982 0.481395 0.077823
O -4.735759 2.006946 2.802111
O -3.551254 2.497513 0.856057
N -2.246204 -0.084373 1.056225
C 1.051833 -0.214927 -0.761668
C -0.379526 -0.306040 -0.256350
C 1.999130 -1.190050 -0.040608
C 1.605477 1.217610 -0.739570
C -1.483241 -0.995662 -0.901937
C -2.644439 -0.829504 -0.066905
C -0.883667 0.233848 0.923392
C 3.318579 -0.815478 0.309302
C 2.942388 1.488051 -0.362122
C -1.605678 -1.735240 -2.108552
C 1.601465 -2.518502 0.247440
C 0.814800 2.313607 -1.166188
C -3.121381 0.382325 2.113499
C -3.904637 -1.366841 -0.407324
C 4.217669 -1.718752 0.916931
C 3.483886 2.791563 -0.403217
C -2.859196 -2.276693 -2.452827
C -3.996757 -2.093596 -1.612141
C 2.484360 -3.439947 0.848768
C 1.336250 3.622800 -1.221544
C 3.800615 -3.037560 1.182725
C 2.678930 3.861946 -0.839023
C -3.788309 1.731094 1.805769
H 1.023848 -0.529091 -1.828668
H -0.378031 0.836854 1.675707
H -0.740042 -1.883657 -2.764607
H 0.579569 -2.824832 -0.003163
H -0.226933 2.127710 -1.450969
H -2.555013 0.498206 3.055565
H -3.914636 -0.357806 2.318546
H -4.788493 -1.225052 0.224428
H 5.223494 -1.369420 1.169059
H 4.523018 2.939147 -0.093949
H -2.968554 -2.847056 -3.381730
H -4.959916 -2.522673 -1.909673
H 2.150639 -4.462328 1.055178
H 0.702203 4.449147 -1.559093
H 4.494829 -3.744020 1.650414
H 3.094158 4.874856 -0.876726
H -5.159356 2.890876 2.628918


