%chk=000090927.chk %nprocshared=8 %mem=31GB #p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm 000090927 0 1 O 1.163700 -1.519800 0.3888000 O 4.824000 0.6531000 0.1371000 C -0.1114000 0.4958000 9.5899999E-02 C 1.163500 -0.2672000 -0.2908000 C -1.381100 -0.2972000 -0.2373000 C -2.670000 0.4207000 0.1746000 C 2.413500 0.5363000 9.8899998E-02 C -3.939200 -0.3314000 -0.2272000 C 3.725900 -0.1453000 -0.2788000 C -5.188900 0.4551000 0.1389000 H -0.1357000 1.463400 -0.4190000 H -0.1060000 0.6977000 1.174700 H 1.168300 -0.4700000 -1.367400 H -1.355900 -1.274200 0.2601000 H -1.406000 -0.4917000 -1.316800 H -2.665800 0.5742000 1.260900 H -2.682400 1.416900 -0.2851000 H 2.422600 0.7109000 1.183000 H 2.378600 1.529200 -0.3668000 H -3.964400 -1.307900 0.2697000 H -3.935300 -0.5162000 -1.307500 H 3.817200 -1.119800 0.2100000 H 3.794700 -0.2970000 -1.360800 H -5.207500 1.423000 -0.3720000 H -6.085200 -0.1007000 -0.1539000 H -5.237300 0.6344000 1.217700 H 1.175100 -1.341800 1.344700 H 4.749200 1.512000 -0.3127000 %chk=000090927-Freq.chk %nprocshared=8 %mem=31GB #p freq=noraman PBEPBE/SDD 000090927 0 1 O 1.244212 -1.561249 0.529262 O 4.951953 0.606272 0.065290 C -0.121636 0.493920 0.148194 C 1.182022 -0.262173 -0.185675 C -1.396784 -0.270652 -0.268308 C -2.697621 0.448009 0.153478 C 2.449888 0.573754 0.099141 C -3.976447 -0.303914 -0.281503 C 3.745017 -0.142190 -0.326240 C -5.273783 0.417317 0.143641 H -0.101472 1.482296 -0.355553 H -0.146737 0.701550 1.240342 H 1.166790 -0.573555 -1.248271 H -1.367559 -1.286732 0.171311 H -1.394613 -0.408005 -1.369895 H -2.707857 0.574432 1.256761 H -2.713785 1.472292 -0.275774 H 2.509927 0.806091 1.182532 H 2.368095 1.545398 -0.432661 H -3.960986 -1.325946 0.148702 H -3.966647 -0.431236 -1.383314 H 3.833479 -1.109884 0.190909 H 3.735749 -0.334395 -1.421427 H -5.327432 1.430298 -0.298422 H -6.172315 -0.139953 -0.179497 H -5.323142 0.529245 1.243380 H 1.240222 -1.373875 1.504026 H 4.945661 1.485384 -0.391526