%chk=000050015.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050015

0 1
 I   -6.776400       3.034600     -0.7434000    
 O   -1.318900      -1.244400     -6.9700003E-02
 O    6.302600       3.205800     -0.3636000    
 O    6.669400       1.494400       1.083500    
 O  -0.2415000      -2.911700       1.085400    
 N   0.6635000      -1.982000     -0.8389000    
 C    3.371900     -0.7032000     -0.6889000    
 C    3.008000      -2.084900     -0.1402000    
 C    4.532400     -4.0500000E-02  5.5900000E-02
 C    1.872000      -2.759100     -0.9012000    
 C    4.862900       1.328000     -0.5399000    
 C    6.031900       1.981700      0.1604000    
 C  -0.2941000      -2.121500      0.1486000    
 C   -2.386400      -1.281500      0.8841000    
 C   -3.421300     -0.2648000      0.5010000    
 C   -3.333400       1.038300      0.9910000    
 C   -4.470700     -0.6222000     -0.3455000    
 C   -4.295100       1.983700      0.6348000    
 C   -5.432400      0.3232000     -0.7018000    
 C   -5.344600       1.626200     -0.2117000    
 H    2.498500     -4.2199999E-02 -0.6345000    
 H    3.631900     -0.7980000      -1.750600    
 H    2.734700      -1.988600      0.9181000    
 H    3.891400      -2.733300     -0.1824000    
 H    4.276800      6.8599999E-02   1.117100    
 H    5.416100     -0.6889000      8.8999998E-03
 H    2.133000      -2.879100      -1.957800    
 H    1.682300      -3.752600     -0.4813000    
 H    5.120700       1.220200      -1.599300    
 H    3.995700       1.991300     -0.4485000    
 H   0.5023000      -1.286700      -1.561400    
 H   -1.995400      -1.064300       1.885900    
 H   -2.830600      -2.284500      0.9038000    
 H   -2.519200       1.329200       1.649400    
 H   -4.548400      -1.633700     -0.7355000    
 H   -4.207400       2.993600       1.027400    
 H   -6.241500      2.3600001E-02  -1.363100    
 H    7.060400       3.636500      8.6599998E-02


%chk=000050015-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050015

0 1
I -8.022192 -0.624855 -1.212800
O -1.142156 0.564293 0.499906
O 7.860942 1.776779 0.261885
O 7.600899 -0.458052 0.834163
O -0.756209 -1.769334 0.614589
N 0.387400 -0.377392 -0.894590
C 3.502617 -0.318009 -0.872927
C 2.611667 -1.574738 -0.764766
C 4.881525 -0.511671 -0.204833
C 1.241105 -1.431951 -1.467558
C 5.756068 0.752580 -0.302233
C 7.126549 0.579128 0.322733
C -0.513649 -0.641013 0.107587
C -2.221288 0.410291 1.528977
C -3.573088 0.168315 0.891275
C -4.444752 1.250436 0.615194
C -3.987647 -1.147034 0.558694
C -5.707141 1.036389 0.016728
C -5.245898 -1.379480 -0.040273
C -6.095524 -0.282363 -0.304552
H 2.983888 0.542621 -0.401902
H 3.644539 -0.057845 -1.943953
H 2.440722 -1.827542 0.299533
H 3.138022 -2.439934 -1.216920
H 4.747396 -0.785562 0.859129
H 5.411843 -1.362297 -0.673794
H 1.386299 -1.209638 -2.542181
H 0.685184 -2.382164 -1.387628
H 5.905586 1.052734 -1.358651
H 5.266470 1.618160 0.185342
H 0.478658 0.590431 -1.203514
H -2.189989 1.369447 2.069428
H -1.934723 -0.419864 2.197487
H -4.140123 2.273803 0.865348
H -3.313202 -1.987359 0.756913
H -6.370412 1.880883 -0.189700
H -5.554526 -2.397855 -0.292466
H 8.756239 1.630864 0.673027


