%chk=000114963.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114963

0 1
 O   -4.452900      0.9237000      0.1510000    
 O   -5.492800      -1.032300     -0.7415000    
 O  -0.4314000      -1.435200      0.4482000    
 O  -0.3714000       3.379900     -0.2790000    
 O    1.802000       1.949100     -0.1009000    
 O    3.996000      0.5385000      7.0000000E-02
 O    6.234900     -0.1432000      2.3399999E-02
 C   -3.397900      -1.270100      0.4701000    
 C   -4.723800     -0.4848000      0.3558000    
 C   -2.418800     -0.1744000      0.2826000    
 C   -3.087900       1.029100      0.1167000    
 C   -1.032800     -0.2177000      0.2698000    
 C   -3.523800      -2.224000     -0.6520000    
 C  -0.3371000      0.9785000      7.9200000E-02
 C   -2.415300       2.222700     -7.1999997E-02
 C   -1.020000       2.195500     -9.1499999E-02
 C   -4.695000      -2.033700      -1.246500    
 C    1.133800      0.9390000      6.1999999E-02
 C    1.760700     -0.3788000      0.2481000    
 C   0.9401000      -1.491500      0.4304000    
 C    3.151200     -0.5160000      0.2424000    
 C    1.513800      -2.752000      0.6087000    
 C    3.718600      -1.777700      0.4208000    
 C    2.901900      -2.893800      0.6037000    
 C  -4.3200001E-02   4.129800      0.8883000    
 C    5.210700      0.2041000     -0.5497000    
 C    5.080400      0.3355000      -2.038200    
 H   -3.297800      -1.759700       1.443500    
 H   -5.324900     -0.5836000       1.268500    
 H   -2.794900      -2.968900     -0.9320000    
 H   -2.959600       3.152300     -0.2027000    
 H   -5.108700      -2.561600      -2.087100    
 H   0.8865000      -3.627600      0.7536000    
 H    4.786400      -1.960900      0.4601000    
 H    3.346100      -3.874300      0.7496000    
 H   0.6554000       4.921000      0.6027000    
 H   0.4298000       3.502300       1.650600    
 H  -0.9462000       4.592300       1.299000    
 H    4.508400     -0.5026000      -2.442800    
 H    6.077800      0.3372000      -2.487300    
 H    4.598000       1.284400      -2.288200    


%chk=000114963-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114963

0 1
O -4.459315 0.914833 -0.021952
O -5.597312 -1.106599 -0.732725
O -0.497482 -1.518118 0.685921
O -0.333724 3.364291 -0.368997
O 1.959847 1.543333 -0.733601
O 4.137326 0.015336 -0.049360
O 3.760839 -0.342331 -2.340391
C -3.493485 -1.301223 0.509010
C -4.833583 -0.487305 0.351936
C -2.441375 -0.225116 0.310833
C -3.059238 0.993534 -0.029932
C -1.048305 -0.269799 0.353187
C -3.591533 -2.299340 -0.647289
C -0.230627 0.875538 0.057803
C -2.342471 2.173092 -0.261882
C -0.929269 2.122187 -0.185140
C -4.761789 -2.111745 -1.301249
C 1.219076 0.671463 -0.165351
C 1.769968 -0.645121 0.278300
C 0.896891 -1.674772 0.725363
C 3.167597 -0.946706 0.323012
C 1.348683 -2.920506 1.204523
C 3.645547 -2.173458 0.812028
C 2.733418 -3.160008 1.254871
C 0.807082 3.795226 0.464292
C 4.255233 0.356342 -1.444344
C 5.079698 1.606725 -1.580564
H -3.408705 -1.803861 1.488007
H -5.502914 -0.404734 1.219167
H -2.805830 -3.006768 -0.905320
H -2.833908 3.128225 -0.453045
H -5.193366 -2.598441 -2.174268
H 0.616716 -3.666479 1.524725
H 4.725065 -2.345168 0.831435
H 3.107885 -4.118373 1.627939
H 0.688096 4.886333 0.555987
H 1.750902 3.529645 -0.033755
H 0.763739 3.321052 1.462596
H 4.411527 2.464883 -1.388621
H 5.484632 1.684238 -2.600200
H 5.890762 1.630196 -0.835547


