Neopentane MOLECULE 44 3 6 0.000000000 0.000000000 0.000000000 6 0.893151756 -0.893151756 0.893151756 1 1.551948982 -0.296135169 1.551948982 BOHRANGS 0.529177249 END 6 4 0 0 6 2.0 1.0 .3047524880D+04 .1834737130D-02 .4573695180D+03 .1403732280D-01 .1039486850D+03 .6884262220D-01 .2921015530D+02 .2321844430D+00 .9286662960D+01 .4679413480D+00 .3163926960D+01 .3623119850D+00 0 1 3 4.0 1.0 .7868272350D+01 -.1193324200D+00 .6899906660D-01 .1881288540D+01 -.1608541520D+00 .3164239610D+00 .5442492580D+00 .1143456440D+01 .7443082910D+00 0 1 1 0.0 1.0 .1687144782D+00 .1000000000D+01 .1000000000D+01 0 3 1 0.0 1.0 .8000000000D+00 .1000000000D+01 1 3 0 0 3 1.0 1.0 .1873113696D+02 .3349460434D-01 .2825394365D+01 .2347269535D+00 .6401216923D+00 .8137573262D+00 0 0 1 0.0 1.0 .1612777588D+00 .1000000000D+01 0 2 1 0.0 1.0 .1100000000D+01 .1000000000D+01 99 0 GAUSS98 END TOLINTEG 20 20 20 20 20 NOBIPOLA END FMIXING 30 TOLDEP 8 END