%chk=000226759.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226759

0 1
 O    1.902500      -2.053200      0.3833000    
 O   -1.442400      -1.850100     -0.5343000    
 O   -1.301200       2.129900      -1.676300    
 O   0.8122000     -0.8100000       2.000200    
 O  -0.1774000      -1.311600      -2.393800    
 C   0.3836000     -0.3864000     -0.2888000    
 C    1.086600      0.7822000     -0.9146000    
 C  -8.5400000E-02   1.010700     -5.7000001E-03
 C    2.441300       1.196200     -0.4670000    
 C   -1.373500       1.523800     -0.5964000    
 C    1.046700      -1.095900      0.8347000    
 C  -0.4319000      -1.228200      -1.200800    
 C    2.589000       2.280500      0.3980000    
 C    3.565700      0.4994000     -0.9101000    
 C   -2.641800       1.288100      7.4600004E-02
 C    3.860900       2.667700      0.8201000    
 C    4.837400      0.8866000     -0.4878000    
 C   -2.674000      0.5813000       1.276800    
 C   -3.826200       1.769300     -0.4833000    
 C    2.589500      -2.790900       1.399300    
 C   -2.283900      -2.685400      -1.335800    
 C    4.985000       1.970700      0.3772000    
 C   -3.890500      0.3553000       1.920700    
 C   -5.042800       1.543400      0.1608000    
 C    3.496100      -3.809200      0.7413000    
 C   -3.350800      -3.300500     -0.4553000    
 C   -5.074700      0.8364000       1.362900    
 H   0.9125000      0.9457000      -1.976700    
 H   9.8999999E-02   1.404600      0.9891000    
 H    1.737700       2.860800      0.7410000    
 H    3.462200     -0.3461000      -1.585300    
 H    3.976800       3.515500       1.488900    
 H    5.712700      0.3439000     -0.8328000    
 H   -1.778000      0.1907000       1.747100    
 H   -3.826100       2.322500      -1.418800    
 H    3.186100      -2.102900       2.008600    
 H    1.859000      -3.301700       2.036500    
 H   -2.754000      -2.082800      -2.121000    
 H   -1.681100      -3.476600      -1.795400    
 H    5.975400       2.273100      0.7048000    
 H   -3.915900     -0.1955000       2.856500    
 H   -5.965300       1.917600     -0.2735000    
 H    2.915600      -4.492800      0.1131000    
 H    4.220200      -3.313200      8.6400002E-02
 H    4.038600      -4.392100       1.490800    
 H   -2.895400      -3.885900      0.3501000    
 H   -3.954100      -2.520400      2.0600000E-02
 H   -4.010300      -3.951000      -1.036400    
 H   -6.022000      0.6602000       1.864200    


%chk=000226759-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226759

0 1
O 1.651507 -2.180052 0.419441
O -1.150567 -2.120713 -0.718475
O -1.513387 2.025685 -1.868534
O 0.947022 -0.617384 1.997770
O -0.259089 -1.113867 -2.624498
C 0.379864 -0.332758 -0.377675
C 1.074513 0.945511 -0.928747
C -0.168934 1.102409 -0.081314
C 2.439243 1.362815 -0.457411
C -1.474366 1.561464 -0.690456
C 0.986735 -1.029485 0.813957
C -0.336341 -1.205064 -1.379949
C 2.621118 2.492973 0.376070
C 3.578756 0.637556 -0.893182
C -2.711000 1.443408 0.149002
C 3.918041 2.892032 0.771162
C 4.874469 1.034538 -0.499195
C -2.714718 0.765761 1.399378
C -3.918720 2.010662 -0.341306
C 2.309487 -2.967358 1.511543
C -1.928391 -3.057353 -1.590705
C 5.048506 2.164131 0.335321
C -3.909273 0.664195 2.144063
C -5.108054 1.910808 0.405544
C 2.966212 -4.172116 0.847939
C -2.755461 -3.936746 -0.659850
C -5.105444 1.237179 1.652138
H 0.891732 1.050511 -2.008205
H -0.022055 1.359238 0.975078
H 1.747443 3.064538 0.709551
H 3.443770 -0.235858 -1.542208
H 4.046067 3.769384 1.414962
H 5.747185 0.467699 -0.842879
H -1.798708 0.307238 1.787470
H -3.893657 2.520575 -1.310289
H 3.036911 -2.307179 2.016472
H 1.531663 -3.252930 2.242503
H -2.552327 -2.452482 -2.272699
H -1.208962 -3.635128 -2.198719
H 6.054331 2.473962 0.640448
H -3.908874 0.139110 3.105362
H -6.034290 2.354212 0.024186
H 2.216436 -4.797690 0.334316
H 3.718851 -3.852121 0.107433
H 3.471209 -4.789996 1.612614
H -2.105250 -4.515778 0.018020
H -3.440495 -3.324930 -0.048425
H -3.359015 -4.646419 -1.254610
H -6.030094 1.159513 2.235288


