%chk=000121701.chk %nprocshared=8 %mem=21GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000121701 0 1 O 0.3928000 -1.320300 0.6075000 O -3.098100 0.8749000 -0.2289000 O -2.236900 -1.230900 0.1423000 C 2.975500 -0.1155000 1.3300000E-02 C 1.751600 0.6713000 0.5056000 C 2.827300 -0.5152000 -1.457000 C 4.244000 0.7204000 0.1953000 C 0.4436000 -0.1061000 0.4200000 C -0.7969000 0.7300000 0.1621000 C -2.100400 -2.0000000E-02 4.0399998E-02 C -4.402600 0.3114000 -0.4006000 H 3.077700 -1.031600 0.6083000 H 1.881100 0.9698000 1.552400 H 1.648100 1.588200 -8.7399997E-02 H 1.971400 -1.179500 -1.609800 H 3.719300 -1.048100 -1.803900 H 2.691400 0.3644000 -2.095600 H 4.199700 1.645400 -0.3897000 H 5.128600 0.1595000 -0.1241000 H 4.382500 0.9908000 1.247400 H -0.8913000 1.440200 0.9906000 H -0.6366000 1.269900 -0.7778000 H -5.100400 1.126800 -0.6087000 H -4.719100 -0.1967000 0.5153000 H -4.407600 -0.3802000 -1.248500 %chk=000121701-Freq.chk %nprocshared=8 %mem=21GB #p freq=noraman PBEPBE/SDD 000121701 0 1 O 0.444206 -0.972577 -1.832639 O -3.093605 0.247182 -0.347648 O -1.489143 0.919725 1.201276 C 2.688029 -0.285940 -0.104352 C 1.408775 0.577818 -0.187382 C 3.537623 -0.164633 -1.392141 C 3.513382 0.105692 1.143402 C 0.336956 0.072589 -1.143421 C -0.962713 0.915788 -1.222504 C -1.832515 0.714267 0.012968 C -4.031776 -0.004079 0.777501 H 2.372543 -1.343781 -0.005137 H 0.919677 0.676399 0.806057 H 1.664618 1.620369 -0.477322 H 2.963546 -0.483417 -2.278811 H 4.440996 -0.798714 -1.325928 H 3.871799 0.880850 -1.543811 H 3.835462 1.163941 1.088871 H 4.423242 -0.517321 1.222845 H 2.929376 -0.023633 2.073944 H -0.694473 1.987879 -1.267826 H -1.526877 0.630517 -2.122328 H -4.955863 -0.351288 0.295777 H -4.200527 0.924923 1.347092 H -3.618039 -0.773657 1.450016