%chk=000101997.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000101997

0 1
 O   -3.061000     -0.5852000      -1.773200    
 O   -4.329500      -1.993800      0.3258000    
 O    4.757600      -1.107300      -2.442700    
 C   -1.084500      0.9147000     -0.3194000    
 C   -1.988400     -0.1198000      0.3919000    
 C   0.2715000       1.107900      0.3728000    
 C    1.024000     -0.2613000      0.3997000    
 C    2.449100     -0.1388000       1.059700    
 C   -3.271500      5.2999998E-03 -0.4833000    
 C    3.265000      0.9826000      0.3321000    
 C   -1.257400      -1.472300      0.3494000    
 C   0.1402000      -1.391800      0.9916000    
 C   -1.995300       2.127000     -0.4961000    
 C    1.107000       2.188400     -0.3266000    
 C   -3.403300       1.532400     -0.7080000    
 C    2.502400       2.316800      0.2770000    
 C    3.256700      -1.467300      0.9814000    
 C   -2.303200      0.2447000       1.868100    
 C    3.715100      0.5683000      -1.084900    
 C    2.335800      0.2055000       2.567800    
 C   -4.545500     -0.6072000      9.0999998E-02
 C    3.666100      -1.861700     -0.4319000    
 C    4.475300     -0.7533000      -1.092900    
 C   -5.726400     -0.4339000     -0.8492000    
 H  -0.8621000      0.5499000      -1.335500    
 H   9.7499996E-02   1.452600       1.396900    
 H    1.175700     -0.5429000     -0.6515000    
 H    4.184700       1.163400      0.9076000    
 H   -1.126200      -1.813400     -0.6843000    
 H   -1.837300      -2.247600      0.8621000    
 H   3.3599999E-02  -1.270400       2.073700    
 H   0.6243000      -2.362200      0.8373000    
 H   -1.693100       2.741000      -1.350900    
 H   -1.984700       2.769400      0.3916000    
 H   0.6034000       3.159200     -0.2465000    
 H    1.183200       1.970800      -1.398500    
 H   -4.090800       1.996100      8.8000000E-03
 H   -3.759900       1.765900      -1.717700    
 H    3.077400       3.052800     -0.2984000    
 H    2.416300       2.731300       1.288600    
 H    2.705300      -2.292400       1.444700    
 H    4.174900      -1.362400       1.576900    
 H   -2.870500       1.176200       1.959600    
 H   -2.893800     -0.5455000       2.345200    
 H   -1.404700      0.3660000       2.478300    
 H    2.863500      0.4951000      -1.771500    
 H    4.357100       1.349200      -1.513800    
 H    1.743700       1.103600       2.758400    
 H    1.882500     -0.6146000       3.134200    
 H    3.327500      0.3798000       3.002300    
 H   -4.805100     -0.1519000       1.052000    
 H    4.264300      -2.780800     -0.4001000    
 H    2.788200      -2.109400      -1.040300    
 H    5.433200     -0.6266000     -0.5744000    
 H   -3.003100      -1.548500      -1.666700    
 H   -5.565700     -0.9320000      -1.811300    
 H   -6.616800     -0.9032000     -0.4150000    
 H   -5.959300      0.6189000      -1.032300    
 H   -4.338100      -2.458000     -0.5277000    
 H    5.245900      -1.948200      -2.429000    


%chk=000101997-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000101997

0 1
O -3.027485 -0.638481 -1.865197
O -4.286492 -2.101406 0.085232
O 4.839119 -1.032652 -2.510131
C -1.064313 0.930953 -0.309906
C -1.975601 -0.145806 0.365990
C 0.295330 1.122790 0.390244
C 1.056279 -0.248216 0.408487
C 2.478285 -0.129907 1.080562
C -3.267237 -0.014950 -0.542135
C 3.310327 0.991688 0.350857
C -1.219913 -1.497211 0.318951
C 0.171970 -1.383656 0.999051
C -1.994136 2.154100 -0.482697
C 1.143929 2.216067 -0.304215
C -3.388324 1.521095 -0.795305
C 2.551203 2.344467 0.320068
C 3.287557 -1.465275 0.988920
C -2.339981 0.210993 1.833863
C 3.755739 0.579235 -1.080815
C 2.361452 0.212132 2.593172
C -4.568072 -0.638172 0.023003
C 3.689679 -1.869812 -0.447385
C 4.522242 -0.747614 -1.094783
C -5.807358 -0.376007 -0.849587
H -0.856272 0.540644 -1.330506
H 0.113608 1.453023 1.435664
H 1.219702 -0.506507 -0.661232
H 4.238388 1.135434 0.949475
H -1.070703 -1.785751 -0.740937
H -1.813858 -2.295999 0.799147
H 0.039616 -1.234333 2.088230
H 0.690038 -2.354894 0.881972
H -1.661532 2.827446 -1.291556
H -2.029104 2.753653 0.447996
H 0.621932 3.190670 -0.240245
H 1.226404 1.977393 -1.384485
H -4.180057 1.967407 -0.165158
H -3.681026 1.668536 -1.848979
H 3.149728 3.086750 -0.245635
H 2.456224 2.740382 1.350888
H 2.724966 -2.287033 1.470761
H 4.213564 -1.336855 1.590153
H -2.946700 1.132473 1.906364
H -2.911503 -0.614429 2.296404
H -1.439283 0.369104 2.450749
H 2.890275 0.472437 -1.760497
H 4.398099 1.373210 -1.507373
H 1.729275 1.095845 2.783477
H 1.932983 -0.634049 3.161328
H 3.363053 0.420322 3.016507
H -4.750316 -0.261427 1.048860
H 4.273720 -2.813509 -0.420020
H 2.797437 -2.059367 -1.074818
H 5.470258 -0.634095 -0.518031
H -3.122662 -1.617732 -1.714184
H -5.622553 -0.705271 -1.886498
H -6.689158 -0.914531 -0.449262
H -6.063169 0.697893 -0.869483
H -5.143182 -2.590115 0.170577
H 5.278408 -1.919977 -2.562998


