%chk=000299212.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299212

0 1
O -0.588950 0.183062 0.878004
O -0.028767 1.698799 -0.755934
O -2.404713 0.119899 2.074027
C -2.730919 -0.548367 -0.262502
C -2.017484 -0.173176 -1.575297
C -0.520002 -0.464996 -1.514927
C 0.122105 0.334026 -0.377259
C -1.957154 -0.040742 0.966102
C -4.123913 0.093017 -0.227356
C -2.834699 -2.071781 -0.097471
C 1.557621 -0.053629 -0.080516
C 2.562142 0.341804 -0.976466
C 1.883796 -0.807378 1.052592
C 0.414877 2.677407 0.213913
C 3.887710 -0.028815 -0.741774
C 3.213340 -1.174938 1.284201
C 4.213791 -0.789317 0.387512
H -2.163863 0.909483 -1.786063
H -2.481588 -0.712532 -2.422185
H -0.323825 -1.545463 -1.369106
H -0.037198 -0.190430 -2.475188
H -4.764164 -0.295032 -1.026335
H -4.630058 -0.106839 0.728697
H -4.076535 1.183187 -0.337606
H -3.334920 -2.341086 0.842941
H -3.417520 -2.518168 -0.911158
H -1.849839 -2.553060 -0.095457
H 2.303608 0.945413 -1.847254
H 1.098129 -1.092649 1.757510
H 1.504928 2.648597 0.296454
H -0.060744 2.487240 1.183227
H 0.067575 3.618585 -0.224531
H 4.668335 0.275789 -1.436539
H 3.466884 -1.759785 2.166980
H 5.248216 -1.077524 0.568262


%chk=000299212-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299212

0 1
O -0.619645 0.094286 0.956987
O -0.044993 1.702885 -0.728749
O -2.568706 0.032038 2.115188
C -2.775907 -0.545728 -0.267843
C -2.004270 -0.213667 -1.574468
C -0.500905 -0.518473 -1.461262
C 0.122561 0.314691 -0.328672
C -2.022728 -0.088742 1.001520
C -4.168227 0.135073 -0.284974
C -2.961086 -2.090416 -0.115135
C 1.582022 -0.046084 -0.048803
C 2.560592 0.339118 -1.000826
C 1.974616 -0.780682 1.094379
C 0.438202 2.702336 0.246723
C 3.914807 -0.010724 -0.813175
C 3.331832 -1.130599 1.280502
C 4.304597 -0.750475 0.328486
H -2.127143 0.858476 -1.811037
H -2.451718 -0.791441 -2.405065
H -0.311567 -1.587515 -1.256830
H 0.021617 -0.265135 -2.399998
H -4.745822 -0.223235 -1.157072
H -4.730485 -0.095421 0.634972
H -4.072826 1.233053 -0.362171
H -3.488581 -2.325559 0.825192
H -3.563018 -2.470116 -0.960936
H -1.995401 -2.626710 -0.110775
H 2.257023 0.926535 -1.875315
H 1.219540 -1.058600 1.834774
H 1.532479 2.627086 0.385477
H -0.068511 2.573328 1.218893
H 0.179535 3.677050 -0.193963
H 4.664199 0.293972 -1.552244
H 3.628414 -1.696794 2.170508
H 5.355708 -1.023209 0.475207


