%chk=000022792.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022792

0 1
 I    3.909800      -3.182600       1.100500    
 I    4.333900       2.590800     -0.8334000    
 O  -0.4939000       1.566100       1.897500    
 O  -0.8516000       2.493400     -0.1425000    
 O    5.163400     -0.2843000      0.3962000    
 C   -2.713400      7.6200001E-02 -0.2470000    
 C   -3.117700      -1.325500     -0.7234000    
 C   -3.602600      0.5355000      0.9163000    
 C   -1.240300      0.1049000      0.1561000    
 C   -4.600500      -1.393100      -1.081800    
 C   -5.084600      0.4647000      0.5553000    
 C   -5.480800     -0.9275000      7.3799998E-02
 C  -0.3118000     -0.3452000     -0.9852000    
 C  -0.8464000       1.510200      0.5864000    
 C    1.150600     -0.3286000     -0.6155000    
 C    1.894400      0.8212000     -0.8323000    
 C    1.726500      -1.463900     -6.6100001E-02
 C    3.078900      -1.449000      0.2747000    
 C    3.246900      0.8360000     -0.4915000    
 C    3.839100     -0.2992000      6.1999999E-02
 H   -2.868300      0.7761000      -1.080800    
 H   -2.895900      -2.068100      5.3399999E-02
 H   -2.564200      -1.616700      -1.621100    
 H   -3.372300       1.567600       1.203700    
 H   -3.417400     -9.0300001E-02   1.798900    
 H   -1.085700     -0.5665000       1.012600    
 H   -4.867100      -2.419900      -1.356900    
 H   -4.792600     -0.7667000      -1.961700    
 H   -5.304500       1.198900     -0.2296000    
 H   -5.689700      0.7385000       1.427000    
 H   -6.530700     -0.9247000     -0.2400000    
 H   -5.397300      -1.638400      0.9051000    
 H  -0.5462000      -1.365700      -1.306500    
 H  -0.4655000      0.2842000      -1.872500    
 H    1.430100       1.695700      -1.279800    
 H    1.121600      -2.352600      9.6900001E-02
 H  -0.2464000       2.475200       2.170400    
 H    5.398400      -1.153500      0.7642000    


%chk=000022792-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000022792

0 1
I 3.964286 -3.261553 1.095388
I 4.569915 2.585540 -0.756534
O -0.588714 1.517354 1.981385
O -0.826339 2.525629 -0.092955
O 5.290282 -0.281190 0.437237
C -2.748592 0.042373 -0.272525
C -3.182635 -1.392414 -0.675949
C -3.649476 0.561534 0.881916
C -1.232243 0.094139 0.121808
C -4.687217 -1.463506 -1.034279
C -5.152443 0.492025 0.522704
C -5.571802 -0.939941 0.119932
C -0.288135 -0.256550 -1.074528
C -0.875069 1.490841 0.611673
C 1.184969 -0.283879 -0.692447
C 2.006975 0.859607 -0.863644
C 1.758836 -1.451174 -0.130833
C 3.113670 -1.462446 0.247265
C 3.361664 0.839267 -0.481997
C 3.949334 -0.323455 0.084026
H -2.888573 0.714157 -1.146990
H -2.976403 -2.080236 0.171908
H -2.590316 -1.755236 -1.537226
H -3.380231 1.605117 1.134656
H -3.457873 -0.046052 1.791082
H -1.055016 -0.612434 0.954336
H -4.960819 -2.505819 -1.288690
H -4.874610 -0.853062 -1.941900
H -5.358290 1.183390 -0.320473
H -5.758620 0.844593 1.379401
H -6.638689 -0.960581 -0.174776
H -5.466307 -1.612595 0.996372
H -0.583020 -1.244807 -1.468042
H -0.462097 0.488152 -1.872989
H 1.579362 1.769854 -1.294557
H 1.145958 -2.347826 0.003941
H -0.347609 2.447166 2.248813
H 5.582088 -1.152780 0.820893


