%chk=000117076.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117076

0 1
 O   -6.207200     -0.1620000     -0.7177000    
 O    5.958600      0.1824000       1.193300    
 O   -1.191400      -4.015200     -0.4359000    
 C   -7.616800       3.190300      0.2479000    
 C    8.162200       2.649900     -0.5877000    
 C   -7.552400       1.681200      2.3700001E-02
 C    7.768500       1.462600      0.2883000    
 C   -8.954600       3.605100      0.8597000    
 C    9.680900       2.772000     -0.7088000    
 C   -6.207200       1.254500     -0.5464000    
 C    6.256900       1.308500      0.3799000    
 C   -9.009700       5.102700       1.115800    
 C    10.07650       3.932700      -1.607600    
 C   -5.007700     -0.7977000     -0.6200000    
 C    4.790700     -0.4831000      0.9242000    
 C   -3.835400     -0.1351000     -0.9840000    
 C   -4.951000      -2.112600     -0.1579000    
 C   -2.549700      -2.102400     -0.4238000    
 C    2.414200      -1.837400      0.3763000    
 C    3.698600      0.2087000      0.4002000    
 C    4.694600      -1.852000       1.174300    
 C   -2.606500     -0.7874000     -0.8859000    
 C   -3.722100      -2.764900     -5.9900001E-02
 C    2.510400     -0.4685000      0.1263000    
 C    3.506200      -2.529100      0.9004000    
 C   -1.243100      -2.795800     -0.3203000    
 C    1.175200      -2.543500      9.0599999E-02
 C  -3.8699999E-02  -1.963700     -4.4900000E-02
 H   -6.800500       3.497800      0.9129000    
 H   -7.469900       3.711300     -0.7059000    
 H    7.725000       2.530100      -1.586500    
 H    7.750300       3.573600     -0.1635000    
 H   -8.353700       1.362900     -0.6549000    
 H   -7.730000       1.149500      0.9671000    
 H    8.185200       1.579300       1.296500    
 H    8.202600      0.5368000     -0.1101000    
 H   -9.112700       3.074100       1.805800    
 H   -9.774100       3.323200      0.1884000    
 H    10.12290       2.917200      0.2838000    
 H    10.09830       1.844300      -1.117500    
 H   -5.426500       1.574600      0.1559000    
 H   -6.041600       1.731900      -1.519200    
 H    5.870300       1.184700     -0.6401000    
 H    5.814400       2.204500      0.8305000    
 H   -9.975300       5.377400       1.551900    
 H   -8.885300       5.664600      0.1847000    
 H   -8.222800       5.411100       1.811400    
 H    11.16640       4.002500      -1.678900    
 H    9.700400       4.881400      -1.211400    
 H    9.677800       3.799900      -2.618500    
 H   -3.839900      0.8753000      -1.382200    
 H   -5.861000      -2.633300      0.1278000    
 H    3.724500       1.278100      0.2130000    
 H    5.542100      -2.395600       1.582600    
 H   -1.724200     -0.2500000      -1.220500    
 H   -3.697200      -3.788000      0.3062000    
 H    1.692400      0.1084000     -0.2954000    
 H    3.449700      -3.595900       1.103300    
 H    1.268800      -3.621600     -2.1500001E-02
 H  -0.1719000     -0.9018000      0.1145000    


%chk=000117076-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117076

0 1
O -6.426613 -0.052769 0.328904
O 6.559621 -0.454651 -0.183346
O -1.250080 -3.827913 0.391598
C -8.424719 3.194048 0.128726
C 8.832094 2.595142 -0.519186
C -8.107450 1.687468 0.269549
C 8.382887 1.121760 -0.383773
C -9.938168 3.496020 0.221751
C 10.368875 2.742715 -0.599588
C -6.606255 1.407305 0.185311
C 6.861416 0.987751 -0.305408
C -10.259220 4.998991 0.078981
C 10.823908 4.211131 -0.739047
C -5.126992 -0.564057 0.303016
C 5.221597 -0.847302 -0.101164
C -3.955659 0.220838 0.144082
C -5.020990 -1.973422 0.451223
C -2.567068 -1.815272 0.288036
C 2.556904 -1.862492 0.078565
C 4.115497 0.046219 -0.121383
C 4.998493 -2.244207 0.008630
C -2.693598 -0.408955 0.139296
C -3.760360 -2.581537 0.442005
C 2.808134 -0.464435 -0.032232
C 3.688285 -2.735512 0.096210
C -1.258654 -2.551487 0.290533
C 1.216949 -2.441949 0.173870
C 0.010054 -1.788337 0.180002
H -7.891983 3.764460 0.918398
H -8.039006 3.568904 -0.842655
H 8.376268 3.043892 -1.426689
H 8.455825 3.183344 0.344014
H -8.624160 1.115923 -0.525005
H -8.488090 1.309094 1.237587
H 8.828991 0.672379 0.524066
H 8.749733 0.533959 -1.246948
H -10.324056 3.123938 1.192451
H -10.471929 2.925096 -0.564797
H 10.824906 2.296577 0.307353
H 10.745780 2.153082 -1.459701
H -6.057319 1.927808 0.997716
H -6.192519 1.734939 -0.791302
H 6.376999 1.389504 -1.219797
H 6.458144 1.525332 0.578076
H -11.345850 5.187707 0.151657
H -9.913634 5.388534 -0.897259
H -9.760461 5.588744 0.871187
H 11.925119 4.288592 -0.793652
H 10.485467 4.815995 0.123409
H 10.407446 4.670852 -1.655228
H -4.015329 1.306406 0.025109
H -5.938752 -2.556915 0.571305
H 4.267412 1.126146 -0.204972
H 5.863598 -2.913667 0.022315
H -1.807661 0.221017 0.012642
H -3.654613 -3.665534 0.552873
H 1.967968 0.238543 -0.049490
H 3.522800 -3.816152 0.180516
H 1.158842 -3.538306 0.251792
H -0.034326 -0.696786 0.110165


