%chk=000068309.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068309

0 1
 O   -1.715800      -1.441900      -1.432500    
 O   -2.129300      -1.696100      0.7833000    
 O    4.440100     -0.5260000     -0.5333000    
 N   -3.176300       1.000700      0.3092000    
 C   -1.852800      0.5507000     -0.1158000    
 C  -0.7903000       1.052400      0.8746000    
 C   0.6107000      0.6296000      0.4972000    
 C    1.109000     -0.5693000      0.9787000    
 C    1.368000       1.449900     -0.3225000    
 C   -1.907800     -0.9662000     -0.1747000    
 C   -4.197100      0.5609000     -0.6297000    
 C    2.402100     -0.9594000      0.6306000    
 C    2.661200       1.059800     -0.6707000    
 C    3.178300     -0.1450000     -0.1942000    
 H   -1.622800      0.9443000      -1.114700    
 H   -1.007900      0.6891000       1.888900    
 H  -0.8272000       2.148400      0.9429000    
 H   -3.183600       2.019400      0.3593000    
 H   0.5187000      -1.208500       1.628300    
 H   0.9726000       2.388500     -0.6999000    
 H   -3.967000      0.8609000      -1.657700    
 H   -5.149200       1.031400     -0.3609000    
 H   -4.369700     -0.5192000     -0.5944000    
 H    2.793900      -1.899400       1.009900    
 H    3.260600       1.698200      -1.313900    
 H   -1.767400      -2.420900      -1.464600    
 H    4.633200      -1.383300     -0.1164000    


%chk=000068309-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068309

0 1
O -2.088374 -1.605484 -1.332057
O -1.934300 -1.718376 0.982767
O 4.581453 -0.490247 -0.575163
N -3.180412 1.088639 0.158476
C -1.853551 0.507940 -0.140347
C -0.794529 1.054824 0.852389
C 0.627421 0.634871 0.508280
C 1.213815 -0.520560 1.082525
C 1.396854 1.384081 -0.421751
C -1.921421 -1.028672 -0.064542
C -4.238675 0.912067 -0.857004
C 2.525085 -0.920481 0.742395
C 2.705565 0.999664 -0.773958
C 3.269027 -0.157366 -0.188676
H -1.580297 0.788720 -1.172571
H -1.061797 0.708185 1.868971
H -0.896493 2.154774 0.833106
H -3.489419 0.857847 1.112256
H 0.636144 -1.116551 1.798124
H 0.967697 2.288081 -0.871665
H -3.901584 1.352841 -1.812268
H -5.140075 1.460914 -0.532239
H -4.525516 -0.144780 -1.058857
H 2.962277 -1.817296 1.201351
H 3.302125 1.577638 -1.486008
H -2.182625 -2.593569 -1.236213
H 4.885809 -1.308703 -0.110317


