Subject: CARTESIANS FOR C60 FULLERENE

From: "E. Lewars" <[email-masked]>
Date: Sun, 18 Sep 1994 18:46:59 -0400

1994 Sept 18

Frederick Bennett asked for a Z-matrix or some other info for the geometry
of C60.  Here are the Cartesians; they seem to have the exact correct symmetry.
It should be possible to use them to generate a Z-matrix, e.g. using MOPAC's
"0scf aigout noxyz" keywords. although I haven't tried this with C60.

60
Buckyball
C    3.451266498   0.685000000   0.000000000
C    3.451266498  -0.685000000   0.000000000
C   -3.451266498   0.685000000   0.000000000
C   -3.451266498  -0.685000000   0.000000000
C    0.685000000   0.000000000   3.451266498
C   -0.685000000   0.000000000   3.451266498
C    0.685000000   0.000000000  -3.451266498
C   -0.685000000   0.000000000  -3.451266498
C    0.000000000   3.451266498   0.685000000
C    0.000000000   3.451266498  -0.685000000
C    0.000000000  -3.451266498   0.685000000
C    0.000000000  -3.451266498  -0.685000000
C    3.003809890   1.409000000   1.171456608
C    3.003809890   1.409000000  -1.171456608
C    3.003809890  -1.409000000   1.171456608
C    3.003809890  -1.409000000  -1.171456608
C   -3.003809890   1.409000000   1.171456608
C   -3.003809890   1.409000000  -1.171456608
C   -3.003809890  -1.409000000   1.171456608
C   -3.003809890  -1.409000000  -1.171456608
C    1.409000000   1.171456608   3.003809890
C    1.409000000  -1.171456608   3.003809890
C   -1.409000000   1.171456608   3.003809890
C   -1.409000000  -1.171456608   3.003809890
C    1.409000000   1.171456608  -3.003809890
C    1.409000000  -1.171456608  -3.003809890
C   -1.409000000   1.171456608  -3.003809890
C   -1.409000000  -1.171456608  -3.003809890
C    1.171456608   3.003809890   1.409000000
C   -1.171456608   3.003809890   1.409000000
C    1.171456608   3.003809890  -1.409000000
C   -1.171456608   3.003809890  -1.409000000
C    1.171456608  -3.003809890   1.409000000
C   -1.171456608  -3.003809890   1.409000000
C    1.171456608  -3.003809890  -1.409000000
C   -1.171456608  -3.003809890  -1.409000000
C    2.580456608   0.724000000   2.279809890
C    2.580456608   0.724000000  -2.279809890
C    2.580456608  -0.724000000   2.279809890
C    2.580456608  -0.724000000  -2.279809890
C   -2.580456608   0.724000000   2.279809890
C   -2.580456608   0.724000000  -2.279809890
C   -2.580456608  -0.724000000   2.279809890
C   -2.580456608  -0.724000000  -2.279809890
C    0.724000000   2.279809890   2.580456608
C    0.724000000  -2.279809890   2.580456608
C   -0.724000000   2.279809890   2.580456608
C   -0.724000000  -2.279809890   2.580456608
C    0.724000000   2.279809890  -2.580456608
C    0.724000000  -2.279809890  -2.580456608
C   -0.724000000   2.279809890  -2.580456608
C   -0.724000000  -2.279809890  -2.580456608
C    2.279809890   2.580456608   0.724000000
C   -2.279809890   2.580456608   0.724000000
C    2.279809890   2.580456608  -0.724000000
C   -2.279809890   2.580456608  -0.724000000
C    2.279809890  -2.580456608   0.724000000
C   -2.279809890  -2.580456608   0.724000000
C    2.279809890  -2.580456608  -0.724000000
C   -2.279809890  -2.580456608  -0.724000000