%chk=000071714.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071714

0 1
 O    4.369500       1.544400     -0.2379000    
 O  -0.3529000      -2.433800     -5.2800000E-02
 O   -6.298300     -0.1864000     -7.4000000E-03
 C    2.263200      0.2713000     -0.4380000    
 C    1.507400       1.393600      0.3217000    
 C  -3.5200000E-02   1.354000      0.2844000    
 C  -0.6213000     -6.1700001E-02  0.5193000    
 C    3.681300      0.3733000      0.2152000    
 C    1.591000      -1.099300     -0.1837000    
 C    2.043500       1.304600       1.767900    
 C   7.0900001E-02  -1.109400     -0.3847000    
 C    3.393900      0.5869000       1.704500    
 C  -0.5918000       1.949600      -1.019900    
 C    2.336400      0.5340000      -1.955200    
 C   -2.140100     -6.2500000E-02  0.3653000    
 C   -2.102300       2.132600     -0.9293000    
 C   -2.818100      0.9393000     -0.3544000    
 C    4.538000     -0.8008000     -4.9999999E-03
 C   -2.894600      -1.081800      0.9750000    
 C   -4.217500      0.8844000     -0.4721000    
 C   0.2666000      -3.396200     -0.8902000    
 C   -4.282700      -1.128500      0.8461000    
 C   -4.944200     -0.1481000      0.1168000    
 C    5.237400      -1.759500     -0.1854000    
 H    1.821100       2.371500     -6.9899999E-02
 H  -0.3923000       2.005000       1.097400    
 H  -0.4252000     -0.3356000       1.565700    
 H    1.801900      -1.457800      0.8327000    
 H    2.084400      -1.817800     -0.8473000    
 H    1.369500      0.7563000       2.434200    
 H    2.155600       2.309800       2.190500    
 H  -0.1924000     -0.9236000      -1.432600    
 H    4.169600       1.182200       2.200500    
 H    3.318800     -0.3629000       2.248800    
 H  -0.3748000       1.305900      -1.875300    
 H  -0.1293000       2.921100      -1.230900    
 H    3.083400     -0.1151000      -2.426100    
 H    1.392100      0.3364000      -2.465200    
 H    2.617000       1.570000      -2.173200    
 H   -2.491500       2.355900      -1.930000    
 H   -2.320600       2.998000     -0.2907000    
 H    3.927400       2.336700      0.1080000    
 H   -2.400100      -1.854700       1.558900    
 H   -4.744900       1.663800      -1.018600    
 H  -0.3718000      -4.285500     -0.8925000    
 H    1.232000      -3.709400     -0.4818000    
 H   0.3610000      -3.057900      -1.927600    
 H   -4.833800      -1.934300       1.323500    
 H    5.857200      -2.610400     -0.3456000    
 H   -6.636500     -0.9662000      0.4655000    


%chk=000071714-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071714

0 1
O 4.492508 1.610732 -0.286719
O -0.346881 -2.433093 0.094308
O -6.332080 -0.256477 -0.126355
C 2.319387 0.325157 -0.413400
C 1.539042 1.440801 0.362496
C -0.010360 1.378625 0.276230
C -0.585431 -0.047689 0.544977
C 3.755126 0.429771 0.256757
C 1.683389 -1.057652 -0.093254
C 2.068814 1.355468 1.833644
C 0.155520 -1.107324 -0.320693
C 3.461637 0.655323 1.773337
C -0.586092 1.950613 -1.044479
C 2.426237 0.531054 -1.941419
C -2.108574 -0.082652 0.363567
C -2.107262 2.153592 -0.918417
C -2.818174 0.930773 -0.346453
C 4.626083 -0.720350 -0.020779
C -2.850162 -1.152292 0.928696
C -4.222727 0.836776 -0.493397
C -0.161591 -3.475581 -0.912536
C -4.249092 -1.245135 0.790363
C -4.935279 -0.240864 0.066496
C 5.345387 -1.692101 -0.251801
H 1.838681 2.423719 -0.064357
H -0.395822 2.035872 1.087316
H -0.365917 -0.329803 1.596010
H 1.852295 -1.334177 0.965488
H 2.181657 -1.831980 -0.706084
H 1.372371 0.766462 2.457119
H 2.123285 2.361026 2.288486
H -0.093286 -0.956572 -1.394526
H 4.277745 1.254365 2.213160
H 3.446380 -0.308320 2.309638
H -0.372862 1.272741 -1.891155
H -0.098327 2.917155 -1.278224
H 3.179997 -0.160704 -2.361141
H 1.467919 0.333062 -2.450504
H 2.747976 1.556045 -2.191054
H -2.546749 2.418047 -1.899221
H -2.300836 3.019396 -0.250295
H 4.020807 2.427785 0.021526
H -2.308949 -1.933382 1.469509
H -4.779059 1.606573 -1.039494
H -0.653620 -4.376613 -0.511718
H 0.909785 -3.700202 -1.094236
H -0.640203 -3.193862 -1.874072
H -4.794971 -2.086488 1.237591
H 5.982330 -2.534567 -0.447454
H -6.732152 -1.051650 0.305121


