%chk=000086675.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086675

0 1
 O    1.385500      -1.544700      0.9073000    
 O  -0.9570000      -1.039900      -1.729500    
 O  -0.4537000       2.307100      0.8781000    
 O    2.761500       1.312100      -1.246900    
 O   -3.385400      0.1292000     -0.5396000    
 N    1.002600      0.6188000      0.1157000    
 N   -1.198600      0.1572000      0.2653000    
 C   0.8944000     -0.7961000     -0.1956000    
 C  -0.6104000      -1.018700     -0.3524000    
 C  -0.2432000       1.171500      0.4713000    
 C    2.239600       1.368800      6.6600002E-02
 C   -2.595700      0.2724000      0.6252000    
 C    1.160700      -2.937700      0.7348000    
 H    1.465000      -1.023200      -1.103400    
 H   -1.025500      -1.907400      0.1242000    
 H    2.949700      0.9135000      0.7629000    
 H    2.064500       2.412100      0.3433000    
 H   -2.793300       1.246000       1.081900    
 H   -2.838000     -0.5258000       1.332800    
 H   -1.926500     -0.9922000      -1.779000    
 H    1.925400      -3.468600       1.310200    
 H    1.250700      -3.248400     -0.3114000    
 H   0.1926000      -3.230700       1.149200    
 H    3.597600       1.808300      -1.244300    
 H   -4.315700      0.1924000     -0.2641000    


%chk=000086675-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000086675

0 1
O 1.383499 -1.634566 1.017355
O -1.222386 -1.277631 -1.484465
O -0.459979 2.403707 0.792991
O 2.532578 1.280352 -1.325652
O -3.307513 0.374751 -0.770587
N 0.902401 0.535477 0.201965
N -1.307530 0.199270 0.455087
C 0.735648 -0.882454 -0.063961
C -0.815245 -1.064757 -0.100331
C -0.300081 1.193183 0.501173
C 2.165698 1.209937 0.105652
C -2.697843 0.490176 0.594482
C 1.662616 -3.024818 0.635408
H 1.160404 -1.172563 -1.045182
H -1.138659 -1.916715 0.531439
H 2.929587 0.636460 0.667871
H 2.031417 2.219118 0.540539
H -2.794566 1.518969 0.987038
H -3.193012 -0.243854 1.261932
H -2.096877 -0.805096 -1.613584
H 2.164314 -3.478735 1.503812
H 2.330286 -3.071593 -0.249437
H 0.733668 -3.588056 0.411830
H 3.425337 1.702943 -1.411691
H -4.276959 0.572495 -0.741084


