%chk=000156875.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000156875 0 1 O 0.1000000 -0.4740000 0.3724000 O 0.7610000 2.324500 0.3327000 O 2.053200 -2.325700 4.4000000E-02 O -1.221500 4.127800 -0.2259000 O 3.359500 3.065800 8.6199999E-02 O -4.507200 -1.072200 -1.909900 O -6.042900 -1.545100 0.3584000 O 2.711200 -4.513500 -0.1177000 C -0.7989000 0.5379000 0.8586000 C -0.5746000 1.849600 8.9199997E-02 C -2.199400 -1.8300001E-02 0.7213000 C 1.378800 -1.7800000E-02 0.2163000 C 1.700400 1.337700 0.2070000 C -1.514900 2.967700 0.5307000 C 2.397800 -0.9565000 5.0799999E-02 C 3.031000 1.742800 7.7500001E-02 C 3.728300 -0.5692000 -9.4499998E-02 C -2.719400 -0.2938000 -0.5432000 C -2.969700 -0.2555000 1.859500 C 4.043500 0.7915000 -7.5300001E-02 C -4.010300 -0.8069000 -0.6696000 C -4.260700 -0.7683000 1.733000 C 4.746300 -1.593700 -0.2563000 C -4.781000 -1.044200 0.4686000 C 4.407400 -2.885100 -0.2640000 C 3.008800 -3.324200 -0.1104000 C 3.379800 3.736000 -1.172200 C -5.206500 -1.7200001E-02 -2.567200 H -0.5645000 0.6890000 1.922400 H -0.6628000 1.709100 -0.9971000 H -2.564800 2.714400 0.3619000 H -1.376500 3.213200 1.588900 H -2.125000 -0.1209000 -1.436700 H -2.578300 -4.5200001E-02 2.851200 H 5.075400 1.119100 -0.1811000 H -4.856100 -0.9507000 2.623500 H 5.781900 -1.293000 -0.3705000 H -0.2866000 4.349100 -7.4900001E-02 H 5.162400 -3.654200 -0.3845000 H 3.647700 4.781900 -0.9989000 H 2.392700 3.701700 -1.644100 H 4.128200 3.287900 -1.833400 H -6.227500 -1.714300 -0.5815000 H -5.570900 -0.3937000 -3.526900 H -6.064100 0.3114000 -1.971600 H -4.534800 0.8267000 -2.754500 %chk=000156875-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000156875 0 1 O -0.058669 -0.339451 0.206864 O 0.822431 2.403878 0.503376 O 1.747371 -2.264642 -0.477116 O -0.973548 4.498225 0.462496 O 3.569751 3.022001 0.252081 O -4.775499 -1.283190 -1.623969 O -6.395569 -0.865508 0.456891 O 2.125329 -4.489399 -0.970116 C -0.890381 0.663544 0.941075 C -0.623949 2.055882 0.325317 C -2.331988 0.224927 0.824487 C 1.280669 0.038605 0.028439 C 1.720838 1.376903 0.180547 C -1.379528 3.203617 1.006717 C 2.223632 -0.964999 -0.306008 C 3.102971 1.712985 0.028247 C 3.603921 -0.640499 -0.450033 C -2.804344 -0.331608 -0.393296 C -3.219401 0.398894 1.910970 C 4.027103 0.706278 -0.273446 C -4.155553 -0.696696 -0.503715 C -4.582942 0.046627 1.791143 C 4.509085 -1.720973 -0.773225 C -5.056077 -0.498747 0.585338 C 4.057341 -3.011274 -0.947639 C 2.646817 -3.368944 -0.820446 C 3.114294 4.042748 -0.716623 C -3.929557 -1.617521 -2.774330 H -0.564207 0.675709 2.000755 H -0.836522 2.035759 -0.761762 H -2.457126 3.117684 0.802242 H -1.213225 3.159218 2.104246 H -2.095298 -0.514976 -1.205251 H -2.851814 0.803701 2.861045 H 5.082500 0.977236 -0.372718 H -5.282379 0.172095 2.622182 H 5.576521 -1.495354 -0.879069 H 0.000635 4.599199 0.619274 H 4.732026 -3.835141 -1.192748 H 3.559718 4.987660 -0.371534 H 2.012474 4.121074 -0.729791 H 3.483845 3.800540 -1.731645 H -6.528997 -1.254529 -0.448993 H -4.601931 -2.090853 -3.504130 H -3.483306 -0.704500 -3.211972 H -3.131063 -2.324586 -2.481955