%chk=000127920.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127920

0 1
 I  -7.8999996E-03   1.423100       1.703900    
 I   -2.849400       3.705900      0.8568000    
 I   -5.673400     -0.8540000      -1.713700    
 O   0.1164000      -1.579400     -0.4534000    
 O    2.780200     -0.7069000     -0.3996000    
 O  -0.7528000      -2.210900       1.582600    
 O    4.389000     -0.1993000       1.166400    
 C    1.188200      -2.501800     -0.2990000    
 C   -1.849900     -0.5400000      0.2829000    
 C    2.340500      -1.808700      0.4020000    
 C  -0.7857000      -1.536100      0.5652000    
 C   -1.755000      0.7836000      0.6658000    
 C   -2.954800      -1.025700     -0.3942000    
 C   -2.800800       1.655200      0.3620000    
 C   -4.000700     -0.1542000     -0.6978000    
 C   -3.923700       1.186200     -0.3198000    
 C    3.817200      1.4400000E-02  0.1067000    
 C    4.160200       1.120200     -0.8303000    
 C    3.395100       1.294800      -2.106400    
 C    5.167300       1.933600     -0.4801000    
 H   0.8765000      -3.406400      0.2351000    
 H    1.490400      -2.802500      -1.307900    
 H    3.169000      -2.513900      0.5312000    
 H    2.026200      -1.433700       1.381800    
 H   -3.004600      -2.072700     -0.6841000    
 H   -4.744600       1.858400     -0.5613000    
 H    3.487700      0.4034000      -2.735500    
 H    2.334300       1.469100      -1.897800    
 H    3.760000       2.147700      -2.688700    
 H    5.465000       2.758000      -1.120600    
 H    5.724600       1.812000      0.4427000    


%chk=000127920-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127920

0 1
I 0.096878 1.332490 1.379233
I -2.734502 3.719830 1.003396
I -6.331096 -0.831207 -0.803669
O 0.145796 -1.356150 -0.524387
O 3.157179 -0.829039 -0.578892
O -1.141560 -2.848781 0.731197
O 3.516740 0.407382 1.371499
C 1.251660 -2.353784 -0.600999
C -2.022467 -0.633593 0.226604
C 2.454969 -1.878453 0.201123
C -0.976633 -1.717436 0.218897
C -1.801285 0.726434 0.594254
C -3.317233 -1.077216 -0.146393
C -2.893757 1.632112 0.515697
C -4.379742 -0.159729 -0.215228
C -4.177295 1.198732 0.100781
C 3.649616 0.280537 0.128757
C 4.327086 1.246186 -0.797666
C 4.331852 0.959563 -2.284378
C 4.903511 2.342942 -0.231711
H 0.887394 -3.321716 -0.212246
H 1.496272 -2.432979 -1.672070
H 3.167244 -2.713854 0.334597
H 2.170745 -1.477151 1.188549
H -3.461477 -2.135984 -0.376333
H -5.001008 1.913317 0.042227
H 4.824539 -0.004750 -2.502597
H 3.300929 0.881490 -2.673721
H 4.858333 1.758538 -2.833051
H 5.415200 3.095582 -0.840931
H 4.866613 2.496086 0.852362


