%chk=000158942.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158942

0 1
 O   -1.807100     -0.9370000     -0.2447000    
 O  -0.2927000      0.6736000     -0.9906000    
 O   -4.853100       1.813200     -8.6800002E-02
 O   -5.112800     -0.7019000       1.314300    
 O   -2.045400       2.705800     -9.2500001E-02
 O   -1.981900      -3.492500      0.7527000    
 O   0.8240000      -1.830300      -1.383900    
 O    1.161300       2.632600      0.3215000    
 O    5.561900      0.4398000       1.451800    
 C   -3.744800       1.073500      0.4278000    
 C   -4.095500     -0.4129000      0.3591000    
 C   -2.496700       1.386500     -0.3976000    
 C   -2.865600      -1.275200      0.6532000    
 C   -1.363900      0.4086000     -8.5500002E-02
 C   -3.162200      -2.761000      0.4758000    
 C   0.9706000      0.4061000     -0.5393000    
 C    1.525200     -0.8554000     -0.7409000    
 C    1.696000       1.396000      0.1188000    
 C    2.813600      -1.128700     -0.2813000    
 C    2.984400       1.122800      0.5783000    
 C    3.543100     -0.1395000      0.3782000    
 C    4.885600     -0.4245000      0.8593000    
 C   0.9692000      -1.906100      -2.800700    
 C    1.384700       3.609500     -0.6932000    
 C    5.502100      -1.802900      0.6461000    
 H   -3.611300       1.398500       1.467000    
 H   -4.501300     -0.6460000     -0.6330000    
 H   -2.735700       1.372800      -1.467700    
 H   -2.512500      -1.120800       1.682000    
 H   -1.014800      0.5564000      0.9468000    
 H   -3.463200      -2.989600     -0.5519000    
 H   -3.946800      -3.101800       1.157400    
 H   -5.631200       1.582500      0.4494000    
 H   -4.759300     -0.5049000       2.198500    
 H   -1.817600       2.736000      0.8524000    
 H   -1.291000      -3.177700      0.1449000    
 H    3.216400      -2.122400     -0.4533000    
 H    3.538400       1.905000       1.091700    
 H   0.3429000      -2.724700      -3.165500    
 H    2.009900      -2.114400      -3.068800    
 H   0.6381000     -0.9754000      -3.272200    
 H   0.8904000       4.536600     -0.3905000    
 H   0.9572000       3.280300      -1.645500    
 H    2.455500       3.804500     -0.8087000    
 H    5.590000      -2.016800     -0.4222000    
 H    4.908000      -2.565900       1.155700    
 H    6.508400      -1.815000       1.076900    


%chk=000158942-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158942

0 1
O -1.884120 -1.109135 -0.318291
O -0.304631 0.342728 -1.254410
O -4.742086 1.933583 -0.399411
O -5.332626 -0.501962 1.103874
O -1.862248 2.635185 -0.253650
O -2.184868 -3.610763 0.970849
O 1.142340 -2.256444 -1.358715
O 0.978436 2.519719 -0.311973
O 5.636898 0.908678 1.182351
C -3.695807 1.113844 0.204907
C -4.148415 -0.366676 0.228649
C -2.401640 1.326608 -0.596034
C -3.003667 -1.311612 0.638983
C -1.349921 0.252454 -0.242445
C -3.328931 -2.805074 0.547612
C 1.026140 0.177705 -0.796315
C 1.694574 -1.073345 -0.866487
C 1.714799 1.323517 -0.290194
C 3.015423 -1.180258 -0.361705
C 3.026643 1.211382 0.197677
C 3.674054 -0.053766 0.175503
C 5.075329 -0.129294 0.722693
C 0.232818 -2.207809 -2.531402
C 1.613689 3.721664 0.252771
C 5.800781 -1.468896 0.714416
H -3.498881 1.436544 1.256082
H -4.528126 -0.648517 -0.768636
H -2.627046 1.240350 -1.679647
H -2.643992 -1.074504 1.668055
H -0.924464 0.436688 0.769544
H -3.635779 -3.045974 -0.492474
H -4.154290 -3.058889 1.230979
H -5.598177 1.686064 0.040413
H -5.065638 -0.306052 2.040539
H -0.908350 2.666240 -0.555435
H -1.398179 -3.321610 0.437304
H 3.493820 -2.161601 -0.414948
H 3.586005 2.059317 0.602322
H 0.248799 -3.235077 -2.927500
H 0.615184 -1.499974 -3.288565
H -0.781576 -1.916876 -2.222653
H 0.857178 4.514296 0.161631
H 2.517611 3.990299 -0.323088
H 1.872939 3.566097 1.315893
H 5.910174 -1.854036 -0.316407
H 5.241248 -2.227819 1.292080
H 6.799079 -1.339701 1.158559


