%chk=000031683.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031683

0 1
 I    1.268400      -2.002500      -1.446000    
 I    3.858500       3.176300      0.5645000    
 I   -2.069500       2.881900     -2.8800000E-02
 O   -1.244700     -8.6999997E-02 -0.9934000    
 O    3.492800     -0.7145000       1.671200    
 O   -1.804100      -3.091600      0.8036000    
 O   -1.931200      -2.765800      -1.435400    
 N    3.548800      0.1110000     -0.5260000    
 C    2.244400      0.7328000     -0.4174000    
 C   -1.878400     -0.8282000      4.4900000E-02
 C  -0.1149000      0.6040000     -0.6583000    
 C    1.137900     -9.9999997E-05 -0.7638000    
 C   -3.277100     -0.2931000      0.2559000    
 C    2.183100       2.029300      2.7300000E-02
 C    4.068200     -0.5863000      0.5875000    
 C  -0.2186000       1.920900     -0.2099000    
 C    5.464100      -1.177100      0.4108000    
 C   0.9304000       2.633500      0.1329000    
 C    4.288800      0.2264000      -1.792500    
 C   -3.974200      0.2224000     -0.8236000    
 C   -3.831500     -0.3295000       1.524100    
 C   -1.866200      -2.305500     -0.3029000    
 C    5.948600      -1.924200       1.644200    
 C   -5.264200      0.7159000     -0.6292000    
 C   -5.121500      0.1641000       1.718500    
 C   -5.838000      0.6868000      0.6418000    
 H   -1.304500     -0.7081000      0.9763000    
 H    6.165100     -0.3656000      0.1901000    
 H    5.450400      -1.870900     -0.4359000    
 H   0.8480000       3.660600      0.4826000    
 H    4.487500     -0.7729000      -2.188800    
 H    5.240300      0.7335000      -1.610800    
 H    3.709800      0.7969000      -2.524900    
 H   -3.559000      0.2332000      -1.827300    
 H   -3.282200     -0.7353000       2.368600    
 H    6.948200      -2.334900       1.471600    
 H    5.276500      -2.752500       1.891500    
 H    5.998100      -1.259300       2.512800    
 H   -5.824200       1.117800      -1.468500    
 H   -5.568400      0.1413000       2.708000    
 H   -6.842800       1.070100      0.7929000    
 H   -1.810300      -4.045500      0.5748000    


%chk=000031683-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031683

0 1
I 1.640700 -2.033655 -1.767389
I 2.869646 3.623957 0.343955
I -2.415803 2.524755 -2.516183
O -1.248330 -0.478487 -2.273496
O 2.011511 -0.474754 1.652939
O -2.832522 -3.552236 -1.813043
O -3.809785 -1.673396 -2.771642
N 3.163964 0.385848 -0.178914
C 1.922391 0.862627 -0.724366
C -1.839975 -1.450300 -1.261820
C -0.287898 0.401537 -1.761074
C 1.003171 -0.024783 -1.346414
C -2.347799 -0.766375 -0.003409
C 1.563689 2.232262 -0.638354
C 3.111173 -0.304183 1.048247
C -0.576227 1.793216 -1.714871
C 4.446917 -0.818235 1.593819
C 0.346881 2.708254 -1.168481
C 4.394858 0.536724 -0.987107
C -3.625484 -0.151972 0.053982
C -1.492699 -0.716423 1.129038
C -2.930234 -2.174347 -2.046285
C 4.270497 -1.618149 2.896360
C -4.047489 0.488588 1.238222
C -1.915162 -0.063760 2.307563
C -3.195197 0.533751 2.367174
H -1.061142 -2.184694 -0.998419
H 5.120489 0.046452 1.765033
H 4.939064 -1.440876 0.819856
H 0.103836 3.771658 -1.127518
H 4.618076 -0.386577 -1.556184
H 5.257996 0.785412 -0.348801
H 4.256272 1.364911 -1.700267
H -4.276403 -0.167668 -0.826579
H -0.491193 -1.161692 1.096078
H 5.250437 -1.967217 3.268152
H 3.620601 -2.494590 2.734647
H 3.794835 -0.999178 3.675123
H -5.037134 0.956945 1.279438
H -1.240133 -0.020557 3.168541
H -3.525153 1.035116 3.284168
H -3.578842 -4.019611 -2.278717


