%chk=000158582.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158582

0 1
 O   0.4845000       2.152300       2.285100    
 O    2.270800      -1.922000       1.899800    
 O   0.9493000       3.711700      0.6685000    
 C    2.037900      0.5271000      -2.084600    
 C    1.109500       1.442900      -1.306700    
 C    2.462300       1.934300      -1.744600    
 C    2.932800     -0.6131000      -1.640400    
 C   0.8288000       1.382000      0.1192000    
 C    3.054900     -0.9031000     -0.1366000    
 C   0.5235000      -1.095900      0.4305000    
 C   0.5464000      0.3331000      0.8968000    
 C    1.928700      -1.724000      0.5242000    
 C    2.604700      -1.887000      -2.433100    
 C  -0.5288000      -1.936900       1.162400    
 C   0.3219000      0.7350000       2.301900    
 C   0.7688000       2.556200       1.015700    
 C   -1.952200      -1.399700      0.9386000    
 C  -0.4349000      -3.385400      0.6861000    
 C   -2.444700      -1.415100     -0.5153000    
 C   -3.866200     -0.9453000     -0.6518000    
 C   -4.323200      0.3167000     -0.7599000    
 C   -5.800000      0.5799000     -0.8958000    
 C   -3.475000       1.556500     -0.7601000    
 H    1.762600      0.3879000      -3.130100    
 H   0.2600000       1.817600      -1.873800    
 H    2.499600       2.657000      -2.551700    
 H    3.236600       2.075100     -0.9993000    
 H    3.943000     -0.3217000      -1.964200    
 H    3.981500      -1.477500      1.3500000E-02
 H    3.239400      2.0800000E-02  0.4247000    
 H   0.2646000      -1.097700     -0.6344000    
 H    1.944300      -2.713300      5.6000002E-02
 H    3.260300      -2.713800      -2.140200    
 H    1.564900      -2.198100      -2.291000    
 H    2.745900      -1.719900      -3.507000    
 H  -0.3494000      -1.931100       2.245300    
 H  -0.6766000      0.5133000       2.680800    
 H    1.068200      0.3075000       2.977600    
 H   -2.055700     -0.3842000       1.331800    
 H   -2.641700      -2.007300       1.541800    
 H  -0.3745000      -3.463600     -0.4048000    
 H   0.4279000      -3.906700       1.111000    
 H   -1.314000      -3.955100       1.009500    
 H    1.749100      -2.664100       2.245000    
 H   -2.391200      -2.427900     -0.9301000    
 H   -1.804500     -0.7956000      -1.151400    
 H   -4.597700      -1.752900     -0.6506000    
 H   -6.391200     -0.3420000     -0.8957000    
 H   -6.152300       1.199800     -6.4800002E-02
 H   -6.006200       1.105600      -1.833900    
 H   -3.771800       2.218100      6.0400002E-02
 H   -2.410500       1.341600     -0.6364000    
 H   -3.595900       2.098100      -1.703900    


%chk=000158582-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158582

0 1
O 0.571714 2.109741 2.480497
O 2.437715 -1.896735 1.954220
O 0.937108 3.779379 0.877375
C 2.009775 0.626319 -2.059358
C 1.040237 1.507711 -1.218342
C 2.383348 2.072071 -1.711246
C 2.897085 -0.573941 -1.643307
C 0.795477 1.376256 0.243847
C 3.075763 -0.868718 -0.121744
C 0.544438 -1.162371 0.470585
C 0.551464 0.253385 0.983316
C 1.997861 -1.740971 0.548141
C 2.503040 -1.844698 -2.444371
C -0.523249 -2.066544 1.168997
C 0.455764 0.633454 2.446711
C 0.789841 2.572191 1.138213
C -1.962259 -1.492368 0.992509
C -0.452943 -3.539591 0.693888
C -2.481846 -1.407357 -0.472076
C -3.908465 -0.895075 -0.531664
C -4.332065 0.349806 -0.898579
C -5.811080 0.704886 -0.886690
C -3.415578 1.477824 -1.340810
H 1.653145 0.504077 -3.092021
H 0.166572 1.872816 -1.776171
H 2.372791 2.836910 -2.492380
H 3.155389 2.222534 -0.948628
H 3.912861 -0.295870 -1.996606
H 4.029538 -1.415285 0.007501
H 3.184414 0.073888 0.445717
H 0.305336 -1.126667 -0.609575
H 1.984398 -2.735082 0.058004
H 3.170244 -2.692192 -2.198981
H 1.462325 -2.161758 -2.245637
H 2.586293 -1.656803 -3.530638
H -0.318902 -2.056320 2.262859
H -0.502418 0.362496 2.924752
H 1.290869 0.197138 3.026412
H -2.019095 -0.476562 1.429182
H -2.661711 -2.120620 1.580874
H -0.494091 -3.616024 -0.408625
H 0.469250 -4.052469 1.025295
H -1.306639 -4.111701 1.101427
H 1.962502 -2.668035 2.355261
H -2.443031 -2.414224 -0.934104
H -1.813246 -0.759045 -1.066988
H -4.675577 -1.618757 -0.212859
H -6.435813 -0.146201 -0.564162
H -6.010085 1.556598 -0.206050
H -6.151965 1.019652 -1.893327
H -3.554001 2.366010 -0.693191
H -2.347196 1.207646 -1.310682
H -3.660801 1.799298 -2.372767


