%chk=000170796.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000170796

0 1
 O    2.065800       3.166900     -0.1051000    
 O   -5.346200      -1.064600     -0.1555000    
 O    5.810900     -0.4389000     -0.1300000    
 C   4.8999999E-02 -0.5777000     -0.3113000    
 C  -0.7221000      0.6662000      0.2360000    
 C    1.538200     -0.6179000      0.1994000    
 C   -2.139100      0.6583000     -0.3473000    
 C   -2.930500     -0.6083000      3.2299999E-02
 C    2.219200      0.7318000     -0.2128000    
 C  -0.7421000      -1.895500     -9.0499997E-02
 C   1.6400000E-02   1.964800     -0.1038000    
 C   -2.204900      -1.820100     -0.5657000    
 C    1.474300       1.953400      0.3571000    
 C   -3.095500       1.794800      4.9999999E-03
 C   -4.277900     -0.2703000     -0.6342000    
 C    2.314000      -1.777300     -0.4890000    
 C   -4.488400       1.222700     -0.3154000    
 C    3.724900      0.7536000      0.1040000    
 C    1.587500     -0.8419000       1.733000    
 C   -3.121200     -0.8203000       1.555900    
 C    3.816400      -1.760100     -0.2083000    
 C    4.451400     -0.4196000     -0.5537000    
 H   0.1019000     -0.4525000      -1.404800    
 H  -0.7911000      0.6087000       1.327000    
 H   -2.029600      0.6841000      -1.444700    
 H    2.156500      0.8145000      -1.309800    
 H  -0.7249000      -2.178900      0.9662000    
 H  -0.2612000      -2.714500     -0.6367000    
 H  -2.1199999E-02   2.148500      -1.186500    
 H  -0.4922000       2.823400      0.3528000    
 H   -2.211300      -1.759000      -1.661800    
 H   -2.725300      -2.750000     -0.3064000    
 H    1.516300       1.966400       1.451800    
 H   -2.892500       2.698000     -0.5794000    
 H   -3.027500       2.063200       1.065100    
 H   -4.215800     -0.4077000      -1.721100    
 H    2.162500      -1.723000      -1.575100    
 H    1.921400      -2.749100     -0.1679000    
 H   -5.173900       1.372600      0.5262000    
 H   -4.929600       1.732000      -1.179500    
 H    4.184700       1.679400     -0.2631000    
 H    3.900300      0.7591000       1.186300    
 H   0.9995000     -0.1063000       2.287000    
 H    1.206000      -1.832400       2.001800    
 H    2.605200     -0.7862000       2.129400    
 H   -3.677700     -3.0000000E-03   2.025300    
 H   -3.681200      -1.742700       1.749400    
 H   -2.173300     -0.9074000       2.093300    
 H    4.012300      -2.014200      0.8405000    
 H    4.306900      -2.553300     -0.7867000    
 H    4.450500     -0.2850000      -1.641500    
 H    2.891700       3.299700      0.3896000    
 H   -6.163800     -0.7289000     -0.5608000    
 H    5.823200     -0.5401000      0.8371000    


%chk=000170796-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000170796

0 1
O 2.063364 3.234888 -0.078651
O -5.373956 -1.158744 -0.214823
O 5.925309 -0.403619 -0.309258
C 0.051422 -0.577073 -0.276928
C -0.724869 0.670534 0.266064
C 1.541246 -0.623810 0.240553
C -2.144146 0.668083 -0.337513
C -2.955619 -0.615071 0.020820
C 2.227764 0.730379 -0.183112
C -0.742661 -1.896586 -0.047479
C 0.023287 1.981318 -0.065763
C -2.207303 -1.835175 -0.563409
C 1.484497 1.958548 0.396961
C -3.114512 1.838510 -0.017957
C -4.300173 -0.261647 -0.667873
C 2.312232 -1.777236 -0.477502
C -4.535437 1.244840 -0.318823
C 3.748302 0.748660 0.117678
C 1.591396 -0.852732 1.778641
C -3.191676 -0.796086 1.543737
C 3.836652 -1.774536 -0.205371
C 4.471836 -0.422567 -0.577246
H 0.118441 -0.433154 -1.382075
H -0.818001 0.592100 1.369500
H -2.009597 0.654062 -1.444827
H 2.120816 0.804285 -1.289502
H -0.749300 -2.150298 1.029912
H -0.228289 -2.732374 -0.558474
H 0.020981 2.149765 -1.162525
H -0.487782 2.847060 0.394126
H -2.200005 -1.757424 -1.671677
H -2.734648 -2.774941 -0.309764
H 1.535446 1.929264 1.508834
H -2.896930 2.731825 -0.629159
H -3.028175 2.142639 1.042435
H -4.172344 -0.372676 -1.769055
H 2.143189 -1.688478 -1.571642
H 1.896900 -2.755497 -0.171030
H -5.187991 1.305111 0.572006
H -5.043385 1.782259 -1.140706
H 4.202759 1.689562 -0.249223
H 3.932764 0.700653 1.212096
H 0.929425 -0.161857 2.328746
H 1.277137 -1.882504 2.027502
H 2.609736 -0.718642 2.182627
H -3.630425 0.104860 2.007657
H -3.898860 -1.627101 1.705220
H -2.255420 -1.025478 2.080460
H 4.031436 -1.985672 0.867291
H 4.329091 -2.579433 -0.782525
H 4.419947 -0.280163 -1.672746
H 2.982780 3.325876 0.278560
H -6.213586 -0.912974 -0.677429
H 6.063834 -0.586133 0.655739


