%chk=000114664.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114664

0 1
 O    2.910400     -0.8242000       1.882600    
 O    5.307500     -0.5569000     -0.2524000    
 O   -5.514100     -0.9338000       1.717000    
 C    1.770300     -0.3372000     -0.2261000    
 C   0.9928000      0.8509000      0.3784000    
 C  -0.3424000       1.124800     -0.3377000    
 C    3.093900     -0.2435000      0.5842000    
 C    2.021200       1.979100      0.3960000    
 C   -2.577800     -6.8000001E-03  -1.080600    
 C    3.353200       1.281500      0.7744000    
 C   -1.129900     -0.1789000     -0.5695000    
 C   0.9073000      -1.592700      7.1999999E-03
 C   -3.333200       1.060100     -0.2208000    
 C   -1.145500       2.170300      0.4539000    
 C   -2.550800       2.377500     -0.1000000    
 C  -0.5351000      -1.380600     -0.3912000    
 C    2.031000     -0.1770000      -1.750100    
 C   -3.455600      -1.300600      -1.107600    
 C   -3.700700      0.5375000       1.179700    
 C    4.223600      -1.062700      3.4299999E-02
 C   -2.490100      0.4639000      -2.557500    
 C    4.516700       1.877000     -1.3500000E-02
 C   -3.843100      -1.842400      0.2630000    
 C   -4.476600     -0.7510000       1.083300    
 C    3.966800      -2.534300     -0.1470000    
 H   0.7597000      0.6150000       1.430200    
 H  -0.1264000       1.559000      -1.322400    
 H    2.084300       2.471100     -0.5814000    
 H    1.762100       2.749200       1.130800    
 H    3.537900       1.492800       1.836500    
 H   0.9108000      -1.907400       1.056600    
 H    1.290800      -2.435200     -0.5773000    
 H   -4.279600       1.293600     -0.7308000    
 H  -0.6186000       3.132200      0.4338000    
 H   -1.207400       1.882400       1.510400    
 H   -3.094300       3.077800      0.5464000    
 H   -2.485900       2.864700      -1.079800    
 H   -1.082100      -2.300600     -0.5665000    
 H    2.600700      -1.017500      -2.155300    
 H    1.103900     -0.1345000      -2.330200    
 H    2.590000      0.7319000      -1.986200    
 H   -2.971300      -2.092700      -1.691900    
 H   -4.388700      -1.074400      -1.644400    
 H   -4.318900       1.275900       1.703300    
 H   -2.820000      0.3405000       1.799200    
 H   -2.014700     -0.3008000      -3.183900    
 H   -3.487800      0.6539000      -2.970600    
 H   -1.913500       1.384900      -2.682500    
 H    4.499300       1.607000      -1.073000    
 H    4.467000       2.972200      3.0700000E-02
 H    5.482600       1.613500      0.4284000    
 H   -2.984000      -2.231300      0.8163000    
 H   -4.562300      -2.660200      0.1445000    
 H    3.700000     -0.6310000       2.416900    
 H    3.373500      -2.946200      0.6717000    
 H    3.488200      -2.731800      -1.106200    
 H    4.929400      -3.056500     -0.1360000    


%chk=000114664-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000114664

0 1
O 2.698154 -0.957930 1.768255
O 4.742627 -0.855894 -1.261711
O -5.592855 -0.936681 1.764210
C 1.705525 -0.377873 -0.376601
C 0.961130 0.806877 0.315487
C -0.381917 1.148757 -0.358890
C 3.061255 -0.367428 0.450407
C 2.028433 1.918753 0.395847
C -2.657791 0.072427 -1.095044
C 3.382920 1.178603 0.674608
C -1.199974 -0.133494 -0.615840
C 0.843332 -1.649950 -0.203759
C -3.393286 1.122142 -0.182018
C -1.165266 2.194340 0.484597
C -2.591401 2.439732 -0.050226
C -0.617555 -1.365440 -0.528645
C 1.943002 -0.117380 -1.885679
C -3.517733 -1.227838 -1.126954
C -3.716265 0.541060 1.230463
C 4.184412 -1.212791 -0.187489
C -2.610290 0.601735 -2.565451
C 4.567060 1.801476 -0.093836
C -3.869904 -1.821084 0.264624
C -4.503711 -0.759303 1.154272
C 4.580435 -2.511009 0.502966
H 0.739517 0.466870 1.347959
H -0.170838 1.624607 -1.343164
H 2.090672 2.465179 -0.565846
H 1.811551 2.665023 1.180613
H 3.610868 1.275806 1.758011
H 0.934687 -2.025245 0.834049
H 1.204556 -2.462065 -0.868505
H -4.362055 1.354447 -0.674300
H -0.601731 3.147118 0.494482
H -1.208889 1.847888 1.536724
H -3.132606 3.134275 0.622470
H -2.536311 2.940084 -1.036676
H -1.222284 -2.259019 -0.732204
H 2.529551 -0.930818 -2.343510
H 0.969932 -0.072634 -2.405568
H 2.487440 0.821247 -2.079783
H -3.021415 -1.999727 -1.745443
H -4.465578 -0.983268 -1.647810
H -4.281716 1.275569 1.830891
H -2.764156 0.323533 1.755488
H -2.193529 -0.174853 -3.232732
H -3.628812 0.851277 -2.920582
H -1.985800 1.504532 -2.673572
H 4.445415 1.706298 -1.184729
H 4.631265 2.876661 0.160378
H 5.532459 1.332451 0.166755
H -2.943983 -2.173052 0.761504
H -4.559394 -2.677872 0.170866
H 3.385813 -0.698234 2.432103
H 3.688472 -3.103449 0.770186
H 5.251294 -3.081151 -0.158638
H 5.109770 -2.305787 1.454290


