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=======================
You can obtain coordinates at the web page of prof. Yoshida:
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======================

From chemistry-request@ccl.net Mon Oct 31 13:29:20 1994
Date: Mon, 31 Oct 1994 19:11:53 +0100
From: Frederick Bennett >bennett@ubaclu.unibas.ch<
Subject: CCL:C60 Z matrices summary
To: chemistry@ccl.net
Message-id: >bennett.1134014753B@ubaclu.unibas.ch<

 Dear to whom it may concern,
                              some time ago I posted a request for Z
matrices for C60 that observed the molecular point group of the species. I
am posting a summary for those who are interested and for the sake of
providing a compilation for the CCL archives the replies a listed below.

Regards

Frederick Bennett

===============================================================================


David Heisterberg (djh@ccl.net)

    X70
    X71   X70   3.50
    X72   X70   3.50    X71    180.00
    X73   X70   3.50    X71     63.4349488229221   X72   0.00
    X77   X70   3.50    X71     63.4349488229221   X73  72.00
    X76   X70   3.50    X71     63.4349488229221   X73  144.00
    X75   X70   3.50    X71     63.4349488229221   X73 -144.00
    X74   X70   3.50    X71     63.4349488229221   X73  -72.00
    X78   X70   3.50    X71    116.565051177078    X73   36.00
    X79   X70   3.50    X71    116.565051177078    X73  108.00
    X80   X70   3.50    X71    116.565051177078    X73  180.00
    X82   X70   3.50    X71    116.565051177078    X73 -108.00
    X81   X70   3.50    X71    116.565051177078    X73  -36.00
    C2    X71   1.236   X70     80.00            X74    0.00
    C9    X71   1.236   X70     80.00            X74   72.00
    C18   X71   1.236   X70     80.00            X74  144.00
    C13   X71   1.236   X70     80.00            X74  -72.00
    C55   X71   1.236   X70     80.00            X74 -144.00
    C10   X72   1.236   X70     80.00            X79    0.00
    C34   X72   1.236   X70     80.00            X79   72.00
    C44   X72   1.236   X70     80.00            X79  144.00
    C6    X72   1.236   X70     80.00            X79  -72.00
    C29   X72   1.236   X70     80.00            X79 -144.00
    C3    X75   1.236   X70     80.00            X71    0.00
    C7    X75   1.236   X70     80.00            X71   72.00
    C22   X75   1.236   X70     80.00            X71  144.00
    C17   X75   1.236   X70     80.00            X71  -72.00
    C37   X75   1.236   X70     80.00            X71 -144.00
    C20   X76   1.236   X70     80.00            X71    0.00
    C19   X76   1.236   X70     80.00            X71   72.00
    C38   X76   1.236   X70     80.00            X71  144.00
    C57   X76   1.236   X70     80.00            X71  -72.00
    C59   X76   1.236   X70     80.00            X71 -144.00
    C56   X77   1.236   X70     80.00            X71    0.00
    C58   X77   1.236   X70     80.00            X71   72.00
    C28   X77   1.236   X70     80.00            X71  144.00
    C54   X77   1.236   X70     80.00            X71  -72.00
    C27   X77   1.236   X70     80.00            X71 -144.00
    C15   X73   1.236   X70     80.00            X71    0.00
    C53   X73   1.236   X70     80.00            X71   72.00
    C51   X73   1.236   X70     80.00            X71  144.00
    C16   X73   1.236   X70     80.00            X71  -72.00
    C49   X73   1.236   X70     80.00            X71 -144.00
    C8    X74   1.236   X70     80.00            X71    0.00
    C14   X74   1.236   X70     80.00            X71   72.00
    C47   X74   1.236   X70     80.00            X71  144.00
    C1    X74   1.236   X70     80.00            X71  -72.00
    C21   X74   1.236   X70     80.00            X71 -144.00
    C12   X78   1.236   X70     80.00            X72    0.00
    C30   X78   1.236   X70     80.00            X72   72.00
    C52   X78   1.236   X70     80.00            X72  144.00
    C5    X78   1.236   X70     80.00            X72  -72.00
    C25   X78   1.236   X70     80.00            X72 -144.00
    C4    X79   1.236   X70     80.00            X72    0.00
    C11   X79   1.236   X70     80.00            X72   72.00
    C26   X79   1.236   X70     80.00            X72  144.00
    C33   X79   1.236   X70     80.00            X72  -72.00
    C60   X79   1.236   X70     80.00            X72 -144.00
    C36   X80   1.236   X70     80.00            X72    0.00
    C35   X80   1.236   X70     80.00            X72   72.00
    C40   X80   1.236   X70     80.00            X72  144.00
    C42   X80   1.236   X70     80.00            X72  -72.00
    C39   X80   1.236   X70     80.00            X72 -144.00
    C43   X82   1.236   X70     80.00            X72    0.00
    C41   X82   1.236   X70     80.00            X72   72.00
    C24   X82   1.236   X70     80.00            X72  144.00
    C45   X82   1.236   X70     80.00            X72  -72.00
    C23   X82   1.236   X70     80.00            X72 -144.00
    C31   X81   1.236   X70     80.00            X72    0.00
    C46   X81   1.236   X70     80.00            X72   72.00
    C48   X81   1.236   X70     80.00            X72  144.00
    C32   X81   1.236   X70     80.00            X72  -72.00
    C50   X81   1.236   X70     80.00            X72 -144.00

========================================================================

E. Lewars (elewars@alchemy.chem.utoronto.ca)

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

===========================================================================
Jorge (JSMCM@jazz.ucc.uno.edu


Here is a Z-matrix for C60 that I made some time
ago for G92. The problem that my copy of G92 can 
not handle the Ih symmetry and default to C1 (no 
symmetry). The exact value of the angle a is 
63.43494886  By truncating the value of the angle 
a to 63.43 you can force  G92 to use D5D symmetry
 
Note: you must fix the two angles a and w.
      you can optimized distances f and d only
      f is the distance from the center of the C60 to the
        center of any pentagon
      d is the distance fron the center of pentagon to any
        of its Carbons.

x1
x2 1 f
x3 1 f 2 a
x4 1 f 2 a 3 w
x5 1 f 2 a 4 w
x6 1 f 2 a 5 w
x7 1 f 2 a 6 w
x8 1 1.0 2 90.0 3 0.0
x9 1 f 8 90.0 2 180.0
x10 1 f 9 a 8 180.0
x11 1 f 9 a 10 w
x12 1 f 9 a 11 w
x13 1 f 9 a 12 w
x14 1 f 9 a 13 w
c1a x2 d x1 90.0 x8  0.0
c2a x2 d x1 90.0 c1a 72.0
c3a x2 d x1 90.0 c2a 72.0
c4a x2 d x1 90.0 c3a 72.0
c5a x2 d x1 90.0 c4a 72.0
c1b x3 d x1 90.0 x2  0.0
c2b x3 d x1 90.0 c1b 72.0
c3b x3 d x1 90.0 c2b 72.0
c4b x3 d x1 90.0 c3b 72.0
c5b x3 d x1 90.0 c4b 72.0
c1c x4 d x1 90.0 x2  0.0
c2c x4 d x1 90.0 c1c 72.0
c3c x4 d x1 90.0 c2c 72.0
c4c x4 d x1 90.0 c3c 72.0
c5c x4 d x1 90.0 c4c 72.0
c1d x5 d x1 90.0 x2  0.0
c2d x5 d x1 90.0 c1d 72.0
c3d x5 d x1 90.0 c2d 72.0
c4d x5 d x1 90.0 c3d 72.0
c5d x5 d x1 90.0 c4d 72.0
c1e x6 d x1 90.0 x2  0.0
c2e x6 d x1 90.0 c1e 72.0
c3e x6 d x1 90.0 c2e 72.0
c4e x6 d x1 90.0 c3e 72.0
c5e x6 d x1 90.0 c4e 72.0
c1f x7 d x1 90.0 x2  0.0
c2f x7 d x1 90.0 c1f 72.0
c3f x7 d x1 90.0 c2f 72.0
c4f x7 d x1 90.0 c3f 72.0
c5f x7 d x1 90.0 c4f 72.0
c1g x9 d x1 90.0 x8  180.0
c2g x9 d x1 90.0 c1g 72.0
c3g x9 d x1 90.0 c2g 72.0
c4g x9 d x1 90.0 c3g 72.0
c5g x9 d x1 90.0 c4g 72.0
c1h x10 d x1 90.0 x9  0.0
c2h x10 d x1 90.0 c1h 72.0
c3h x10 d x1 90.0 c2h 72.0
c4h x10 d x1 90.0 c3h 72.0
c5h x10 d x1 90.0 c4h 72.0
c1i x11 d x1 90.0 x9  0.0
c2i x11 d x1 90.0 c1i 72.0
c3i x11 d x1 90.0 c2i 72.0
c4i x11 d x1 90.0 c3i 72.0
c5i x11 d x1 90.0 c4i 72.0
c1j x12 d x1 90.0 x9  0.0
c2j x12 d x1 90.0 c1j 72.0
c3j x12 d x1 90.0 c2j 72.0
c4j x12 d x1 90.0 c3j 72.0
c5j x12 d x1 90.0 c4j 72.0
c1k x13 d x1 90.0 x9  0.0
c2k x13 d x1 90.0 c1k 72.0
c3k x13 d x1 90.0 c2k 72.0
c4k x13 d x1 90.0 c3k 72.0
c5k x13 d x1 90.0 c4k 72.0
c1l x14 d x1 90.0 x9  0.0
c2l x14 d x1 90.0 c1l 72.0
c3l x14 d x1 90.0 c2l 72.0
c4l x14 d x1 90.0 c3l 72.0
c5l x14 d x1 90.0 c4l 72.0

f=3.32182409
d=1.24427177

a=63.43[494886]   [truncation will force D5D symm] 
w=72.0

enjoy

Jorge

============================================================================

Dr. James Stewart  (jstewart@fujitsu.com

Here is a MOPAC Z-matrix for C60.  There are two unknowns, as
required by symmetry.

James J. P. Stewart

 XX    0.0000000  0      0.000000  0      0.000000  0    0    0    0
 XX    3.4932251  1      0.000000  0      0.000000  0    1    0    0
 XX    3.4932243  0    108.000000  0      0.000000  0    1    2    0
 XX    3.4932243  0    108.000000  0      0.000000  0    2    1    3
 XX    3.4932243  0    108.000000  0     63.434949  0    2    1    3
 XX    3.4932243  0    108.000000  0    -63.434949  0    1    2    3
 XX    3.4932243  0    108.000000  0    -63.434949  0    1    6    2
 XX    3.4932243  0    108.000000  0     63.434949  0    1    3    2
 XX    3.4932243  0    108.000000  0      0.000000  0    5    2    1
 XX    3.4932243  0    108.000000  0      0.000000  0    3    1    2
 XX    3.4932243  0    108.000000  0    -63.434949  0    3    1    2
 XX    3.4932243  0    108.000000  0     63.434949  0    4    2    1
  C    1.2398064  1     90.000000  0      0.000000  0    1   12    6      0.0000
  C    1.2398104  0     90.000000  0     72.000000  0    1   12   13      0.0000
  C    1.2398104  0     90.000000  0    144.000000  0    1   12   13      0.0000
  C    1.2398104  0     90.000000  0   -144.000000  0    1   12   13      0.0000
  C    1.2398104  0     90.000000  0    -72.000000  0    1   12   13      0.0000
  C    1.2398104  0     90.000000  0      0.000000  0    2   11    5      0.0000
  C    1.2398104  0     90.000000  0     72.000000  0    2   11   18      0.0000
  C    1.2398104  0     90.000000  0    144.000000  0    2   11   18      0.0000
  C    1.2398104  0     90.000000  0   -144.000000  0    2   11   18      0.0000
  C    1.2398104  0     90.000000  0    -72.000000  0    2   11   18      0.0000
  C    1.2398104  0     90.000000  0      0.000000  0    3    5    6      0.0000
  C    1.2398104  0     90.000000  0     72.000000  0    3    5   23      0.0000
  C    1.2398104  0     90.000000  0    144.000000  0    3    5   23      0.0000
  C    1.2398104  0     90.000000  0   -144.000000  0    3    5   23      0.0000
  C    1.2398104  0     90.000000  0    -72.000000  0    3    5   23      0.0000
  C    1.2398104  0     90.000000  0      0.000000  0    4    6    5      0.0000
  C    1.2398104  0     90.000000  0     72.000000  0    4    6   28      0.0000
  C    1.2398104  0     90.000000  0    144.000000  0    4    6   28      0.0000
  C    1.2398104  0     90.000000  0   -144.000000  0    4    6   28      0.0000
  C    1.2398104  0     90.000000  0    -72.000000  0    4    6   28      0.0000
  C    1.2398104  0     90.000000  0      0.000000  0    5    3    4      0.0000
  C    1.2398104  0     90.000000  0     72.000000  0    5    3   33      0.0000
  C    1.2398104  0     90.000000  0    144.000000  0    5    3   33      0.0000
  C    1.2398104  0     90.000000  0   -144.000000  0    5    3   33      0.0000
  C    1.2398104  0     90.000000  0    -72.000000  0    5    3   33      0.0000
  C    1.2398104  0     90.000000  0      0.000000  0    6    4    1      0.0000
  C    1.2398104  0     90.000000  0     72.000000  0    6    4   38      0.0000
  C    1.2398104  0     90.000000  0    144.000000  0    6    4   38      0.0000
  C    1.2398104  0     90.000000  0   -144.000000  0    6    4   38      0.0000
  C    1.2398104  0     90.000000  0    -72.000000  0    6    4   38      0.0000
  C    1.2398104  0     90.000000  0      0.000000  0    7    9    1      0.0000
  C    1.2398104  0     90.000000  0     72.000000  0    7    9   43      0.0000
  C    1.2398104  0     90.000000  0    144.000000  0    7    9   43      0.0000
  C    1.2398104  0     90.000000  0   -144.000000  0    7    9   43      0.0000
  C    1.2398104  0     90.000000  0    -72.000000  0    7    9   43      0.0000
  C    1.2398104  0     90.000000  0      0.000000  0    8   10    1      0.0000
  C    1.2398104  0     90.000000  0     72.000000  0    8   10   48      0.0000
  C    1.2398104  0     90.000000  0    144.000000  0    8   10   48      0.0000
  C    1.2398104  0     90.000000  0   -144.000000  0    8   10   48      0.0000
  C    1.2398104  0     90.000000  0    -72.000000  0    8   10   48      0.0000
  C    1.2398104  0     90.000000  0      0.000000  0    9    7    5      0.0000
  C    1.2398104  0     90.000000  0     72.000000  0    9    7   53      0.0000
  C    1.2398104  0     90.000000  0    144.000000  0    9    7   53      0.0000
  C    1.2398104  0     90.000000  0   -144.000000  0    9    7   53      0.0000
  C    1.2398104  0     90.000000  0    -72.000000  0    9    7   53      0.0000
  C    1.2398104  0     90.000000  0      0.000000  0   10    8   11      0.0000
  C    1.2398104  0     90.000000  0     72.000000  0   10    8   58      0.0000
  C    1.2398104  0     90.000000  0    144.000000  0   10    8   58      0.0000
  C    1.2398104  0     90.000000  0   -144.000000  0   10    8   58      0.0000
  C    1.2398104  0     90.000000  0    -72.000000  0   10    8   58      0.0000
  C    1.2398104  0     90.000000  0      0.000000  0   11    2    9      0.0000
  C    1.2398104  0     90.000000  0     72.000000  0   11    2   63      0.0000
  C    1.2398104  0     90.000000  0    144.000000  0   11    2   63      0.0000
  C    1.2398104  0     90.000000  0   -144.000000  0   11    2   63      0.0000
  C    1.2398104  0     90.000000  0    -72.000000  0   11    2   63      0.0000
  C    1.2398104  0     90.000000  0      0.000000  0   12    1    4      0.0000
  C    1.2398104  0     90.000000  0     72.000000  0   12    1   68      0.0000
  C    1.2398104  0     90.000000  0    144.000000  0   12    1   68      0.0000
  C    1.2398104  0     90.000000  0   -144.000000  0   12    1   68      0.0000
  C    1.2398104  0     90.000000  0    -72.000000  0   12    1   68      0.0000



======================================================
Papernet Address :  Frederick R. Bennett
                    Institute for Physical Chemistry
                    Klingelbergstrasse 80
                    CH-4056 Basel
                    Switzerland

Mouthnet Address :  [41]-(61)-267-3821

Internet Address :  bennett@ubaclu.unibas.ch

======================================================

From jkl@ccl.net Wed Dec  6 10:04:15 2000 -0500
Return-Path: >marketa@hamiltonian.chem.cornell.edu<
X-Sender: gertvh@huygens.rijnh.nl
Message-Id: >a05010400b653296be9ac@[192.42.124.250]<
Date: Wed, 6 Dec 2000 00:29:23 +0100
To: marketa@hamiltonian.chem.cornell.edu
From: Gert von Helden >gertvh@rijnh.nl<
Subject: Re: CCL:Z-matrix input for C60
Content-Type: text/plain; charset="us-ascii" ; format="flowed"

Hi,

G98 should recognize the full symmetry of C60 with the following 
z-matrix (note that two angles, instead of one dihedral, is used for atom 6):


Hope that helps,   Gert

# AM1 opt

C60

    0   1
c
c   1 r5
c   2 r5  1 108.0
c   3 r5  2 108.0  1 0.00
c   4 r5  3 108.0  2 0.00
c   5 r6  4 120.0  1 120.0 1
c   6 r5  5 120.0  4 0.00
c   7 r6  6 120.0  5 0.00
c   8 r5  7 120.0  6 0.00
c   9 r5  4 120.0  3 0.00
c  10 r6  9 120.0  4 0.00
c 11 r5 10 120.0  9 0.00
c 12 r5  3 120.0  2 0.00
c 13 r6 12 120.0  3 0.00
c 14 r5 13 120.0  2 0.00
c 15 r5  2 120.0  1 0.00
c 16 r5 15 108.0 14 0.00
c 17 r5 16 108.0 15 0.00
c 18 r6 14 120.0 13 0.00
c 19 r5 18 120.0 14 0.00
c 20 r6 19 120.0 13 0.00
c 21 r5 13 108.0 12 0.00
c 22 r6 11 120.0 10 0.00
c 23 r5 22 120.0 11 0.00
c 10 r5 11 120.0 22 0.00
c 8 r5  9 108.0  10 0.00
c 26 r6  8 120.0  7 0.00
c 27 r5 26 120.0  8 0.00
c 28 r6 27 120.0 26 0.00
c 29 r5  7 108.0  6 0.00
c 30 r6 29 120.0 28 0.00
c 31 r5 30 120.0 29 0.00
c 32 r6 31 120.0 30 0.00
c 33 r5 28 108.0 27 0.00
c 34 r5 33 108.0 28 0.00
c 35 r6 27 120.0 26 0.00
c 36 r5 24 108.0 23 0.00
c 37 r5 36 108.0 24 0.00
c 38 r6 23 120.0 22 0.00
c 39 r5 38 120.0 37 0.00
c 40 r5 39 108.0 20 0.00
c 41 r6 19 120.0 18 0.00
c 42 r5 41 120.0 19 0.00
c 43 r5 17 120.0 16 0.00
c 44 r5 43 108.0 42 0.00
c 45 r5 44 108.0 43 0.00
c 46 r6 42 120.0 41 0.00
c 47 r5 46 120.0 42 0.00
c 48 r5 40 120.0 39 0.00
c 49 r5 48 108.0 47 0.00
c 50 r5 49 108.0 48 0.00
c 51 r6 47 120.0 46 0.00
c 52 r5 51 120.0 47 0.00
c 53 r5 52 108.0 32 0.00
c 54 r6 53 120.0 45 0.00
c 55 r5 54 120.0 53 0.00
c 56 r5 44 120.0 43 0.00
c 57 r5 56 108.0 55 0.00
c 58 r5 57 108.0 56 0.00
c 59 r6 55 120.0 54 0.00

r5 1.474
r6 1.420



At 13:57 -0600 05-12-2000, marketa@hamiltonian.chem.cornell.edu wrote:
<Hi,
<
<I wonder if someone could provide me with a Z-matrix input
<for buckminster-fullerene C60. I need my program to recognize
<as much of the icosahedral symmetry as possible.
<
<                            Thank you,
<
<                                  Marketa Munzarova
<

-- 
*******************************************************
  Dr. Gert von Helden
  FOM Institute for Plasmaphysics Rijnhuizen
  Edisonbaan 14, 3439 MN Nieuwegein, The Netherlands
  http://www.rijnh.nl/
  e-mail: gertvh@rijnh.nl
  phone: (+31) 30 6096999, fax: (+31) 30 6031204

==============================================

From jkl@ccl.net Wed Dec  6 10:04:25 2000 -0500
Return-Path: >marketa@hamiltonian.chem.cornell.edu<
Date: Wed, 06 Dec 2000 09:48:27 +0900
From: "N. Dragoe" >tdragoe@m.ecc.u-tokyo.ac.jp<
Subject: Re: CCL:Z-matrix input for C60
To: marketa@hamiltonian.chem.cornell.edu
Message-id: >001d01c05f1e$3f6c65a0$5eaf0b85@chem.t.utokyo.ac.jp<

Hi,

These are the coordinates for C60. I am not sure but I think you could
transfer them into Z-matrix with Gaussian.
--------
                        Standard orientation:
 ---------------------------------------------------------------------
 Center     Atomic     Atomic              Coordinates (Angstroms)
 Number     Number      Type              X           Y           Z
 ---------------------------------------------------------------------
    1          6             0        0.726656   -1.000157    3.300459
    2          6             0        1.175755    0.382026    3.300459
    3          6             0        1.410183   -1.940951    2.581756
    4          6             0        2.281725    0.741377    2.581756
    5          6             0        2.281725    1.977639    1.817704
    6          6             0        0.000000    1.236262    3.300459
    7          6             0        0.000000    2.399147    2.581756
    8          6             0        1.175755    2.781173    1.817704
    9          6             0       -0.683527   -2.941108    1.817704
   10          6             0       -1.410183   -1.940951    2.581756
   11          6             0        0.683527   -2.941108    1.817704
   12          6             0       -0.726656   -1.000157    3.300459
   13          6             0       -1.175755    0.382026    3.300459
   14          6             0       -2.585938   -1.558925    1.817704
   15          6             0       -3.008381   -0.258779    1.817704
   16          6             0       -2.281725    0.741377    2.581756
   17          6             0        0.726656   -3.399304   -0.581443
   18          6             0       -0.726656   -3.399304   -0.581443
   19          6             0        1.410183   -3.177213    0.581443
   20          6             0       -1.410183   -3.177213    0.581443
   21          6             0       -2.585938   -2.322977    0.581443
   22          6             0       -1.175755   -2.781173   -1.817704
   23          6             0       -2.281725   -1.977639   -1.817704
   24          6             0       -3.008381   -1.741534   -0.581443
   25          6             0        3.008381   -1.741534   -0.581443
   26          6             0        2.281725   -1.977639   -1.817704
   27          6             0        2.585938   -2.322977    0.581443
   28          6             0        1.175755   -2.781173   -1.817704
   29          6             0        0.000000   -2.399147   -2.581756
   30          6             0        2.281725   -0.741377   -2.581756
   31          6             0        1.175755   -0.382026   -3.300459
   32          6             0        0.000000   -1.236262   -3.300459
   33          6             0        3.008381   -0.258779    1.817704
   34          6             0        3.457479    0.359351    0.581443
   35          6             0        2.585938   -1.558925    1.817704
   36          6             0        3.457479   -0.359351   -0.581443
   37          6             0        3.008381    0.258779   -1.817704
   38          6             0        3.008381    1.741534    0.581443
   39          6             0        2.585938    2.322977   -0.581443
   40          6             0        2.585938    1.558925   -1.817704
   41          6             0       -0.726656    1.000157   -3.300459
   42          6             0        0.726656    1.000157   -3.300459
   43          6             0        1.410183    1.940951   -2.581756
   44          6             0       -1.410183    1.940951   -2.581756
   45          6             0       -3.008381    0.258779   -1.817704
   46          6             0       -2.281725   -0.741377   -2.581756
   47          6             0       -1.175755   -0.382026   -3.300459
   48          6             0       -2.585938    1.558925   -1.817704
   49          6             0       -3.008381    1.741534    0.581443
   50          6             0       -3.457479    0.359351    0.581443
   51          6             0       -3.457479   -0.359351   -0.581443
   52          6             0       -2.585938    2.322977   -0.581443
   53          6             0       -0.726656    3.399304    0.581443
   54          6             0       -1.175755    2.781173    1.817704
   55          6             0       -2.281725    1.977639    1.817704
   56          6             0       -1.410183    3.177213   -0.581443
   57          6             0        0.683527    2.941108   -1.817704
   58          6             0        1.410183    3.177213   -0.581443
   59          6             0        0.726656    3.399304    0.581443
   60          6             0       -0.683527    2.941108   -1.817704

Cheers,
----- Original Message -----
From: >marketa@hamiltonian.chem.cornell.edu<
To: >chemistry@ccl.net<
Sent: Wednesday, 6 December 2000 4:57 AM
Subject: CCL:Z-matrix input for C60


<
< Hi,
<
< I wonder if someone could provide me with a Z-matrix input
< for buckminster-fullerene C60. I need my program to recognize
< as much of the icosahedral symmetry as possible.
<
<                            Thank you,
<
<                                  Marketa Munzarova
<
<
=======================================

From jkl@ccl.net Wed Dec  6 10:04:35 2000 -0500
Date: Tue, 5 Dec 2000 17:03:12 -0800 (PST)
From: Roy Jensen >royj@UVic.CA<
To: >marketa@hamiltonian.chem.cornell.edu<
Subject: Re: CCL:Z-matrix input for C60
Message-ID: >Pine.A41.4.30.0012051701020.93624-100000@unix4.UVic.CA<
MIME-Version: 1.0
Content-Type: TEXT/PLAIN; charset=US-ASCII

Mareta

< I wonder if someone could provide me with a Z-matrix input
< for buckminster-fullerene C60. I need my program to recognize
< as much of the icosahedral symmetry as possible.

Gaussian test jobs 322 and 333 have C60 in z-matrix format.
I have copied 322 below if you do not have it.

Roy Jensen


%chk=test322
%mem=2000000,4000000
#p RHF/STO-3G test opt freq

Gaussian Test Job 322 (Part 1):
C60 Icosahedral

0 1
X
X 1 1.
X 1 1. 2 90.
X 1 1. 2 90. 3 180.
X 1 1. 3 C1  2   0.
X 1 1. 3 C1  5  C2
X 1 1. 3 C1  5  C3
X 1 1. 3 C1  5 -C2
X 1 1. 3 C1  5 -C3
X 1 1. 4 C1  2 180.
X 1 1. 4 C1 10  C2
X 1 1. 4 C1 10  C3
X 1 1. 4 C1 10 -C2
X 1 1. 4 C1 10 -C3
C 1 R 3 A 5 0.
C 1 R 3 A 6 0.
C 1 R 3 A 7 0.
C 1 R 3 A 8 0.
C 1 R 3 A 9 0.
C 1 R 5 A 3 0.
C 1 R 5 A 3 C2
C 1 R 5 A 3 C3
C 1 R 5 A 3 -C2
C 1 R 5 A 3 -C3
C 1 R 6 A 3 0.
C 1 R 6 A 3 C2
C 1 R 6 A 3 C3
C 1 R 6 A 3 -C2
C 1 R 6 A 3 -C3
C 1 R 7 A 3 0.
C 1 R 7 A 3 C2
C 1 R 7 A 3 C3
C 1 R 7 A 3 -C2
C 1 R 7 A 3 -C3
C 1 R 8 A 3 0.
C 1 R 8 A 3 C2
C 1 R 8 A 3 C3
C 1 R 8 A 3 -C2
C 1 R 8 A 3 -C3
C 1 R 9 A 3 0.
C 1 R 9 A 3 C2
C 1 R 9 A 3 C3
C 1 R 9 A 3 -C2
C 1 R 9 A 3 -C3
C 1 R 4 A 10 0.
C 1 R 4 A 11 0.
C 1 R 4 A 12 0.
C 1 R 4 A 13 0.
C 1 R 4 A 14 0.
C 1 R 10 A 4 0.
C 1 R 10 A 4 C2
C 1 R 10 A 4 C3
C 1 R 10 A 4 -C2
C 1 R 10 A 4 -C3
C 1 R 11 A 4 0.
C 1 R 11 A 4 C2
C 1 R 11 A 4 C3
C 1 R 11 A 4 -C2
C 1 R 11 A 4 -C3
C 1 R 12 A 4 0.
C 1 R 12 A 4 C2
C 1 R 12 A 4 C3
C 1 R 12 A 4 -C2
C 1 R 12 A 4 -C3
C 1 R 13 A 4 0.
C 1 R 13 A 4 C2
C 1 R 13 A 4 C3
C 1 R 13 A 4 -C2
C 1 R 13 A 4 -C3
C 1 R 14 A 4 0.
C 1 R 14 A 4 C2
C 1 R 14 A 4 C3
C 1 R 14 A 4 -C2
C 1 R 14 A 4 -C3
     Variables:
R 3.52429
A 20.5346
     Constants:
C1 63.434948823
C2 72.0
C3 144.0

--Link1--
%chk=test322
%nosave
%mem=2000000,4000000
#p rhf/sto-3g freq=numer test geom=check guess=read

Gaussian Test Job 322 (Part 2):
C60 Icosahedral, numerical freq

0 1



====================================



From jkl@ccl.net Wed Dec  6 10:04:40 2000 -0500
Return-Path: >marketa@hamiltonian.chem.cornell.edu<
Date: Tue, 5 Dec 2000 21:19:41 -0600 (CST)
From: Geoff Hutchison >hutchisn@chem.nwu.edu<
To: marketa@hamiltonian.chem.cornell.edu
Subject: Re: CCL:Z-matrix input for C60
Message-ID: >Pine.GSO.3.96.1001205211814.14264A-200000@mercury.chem.nwu.edu<


< I wonder if someone could provide me with a Z-matrix input
< for buckminster-fullerene C60. I need my program to recognize
< as much of the icosahedral symmetry as possible.

As it happens, I had a BuckyBall Molfile, so I converted it to Gaussian
Z-matrix for you. See the attached file.

Cheers,
-Geoff Hutchison
Northwestern Chemistry

=======================================

  C 
  C    1 r2 
  C    2 r3    1 a3
  C    3 r4    2 a4    1 d4
  C    4 r5    3 a5    2 d5
  C    1 r6    2 a6    3 d6
  C    4 r7    3 a7    2 d7
  C    7 r8    4 a8    3 d8
  C    8 r9    7 a9    4 d9
  C    7 r10    4 a10    3 d10
  C    10 r11    7 a11    4 d11
  C    11 r12    10 a12    7 d12
  C    12 r13    11 a13    10 d13
  C    10 r14    7 a14    4 d14
  C    3 r15    2 a15    1 d15
  C    13 r16    12 a16    11 d16
  C    16 r17    13 a17    12 d17
  C    17 r18    16 a18    13 d18
  C    18 r19    17 a19    16 d19
  C    6 r20    1 a20    2 d20
  C    1 r21    2 a21    3 d21
  C    21 r22    1 a22    2 d22
  C    19 r23    18 a23    17 d23
  C    23 r24    19 a24    18 d24
  C    16 r25    13 a25    12 d25
  C    12 r26    11 a26    10 d26
  C    11 r27    10 a27    7 d27
  C    27 r28    11 a28    10 d28
  C    15 r29    3 a29    2 d29
  C    29 r30    15 a30    3 d30
  C    30 r31    29 a31    15 d31
  C    31 r32    30 a32    29 d32
  C    22 r33    21 a33    1 d33
  C    33 r34    22 a34    21 d34
  C    24 r35    23 a35    19 d35
  C    35 r36    24 a36    23 d36
  C    26 r37    12 a37    11 d37
  C    37 r38    26 a38    12 d38
  C    28 r39    27 a39    11 d39
  C    39 r40    28 a40    27 d40
  C    40 r41    39 a41    28 d41
  C    31 r42    30 a42    29 d42
  C    32 r43    31 a43    30 d43
  C    33 r44    22 a44    21 d44
  C    34 r45    33 a45    22 d45
  C    35 r46    24 a46    23 d46
  C    36 r47    35 a47    24 d47
  C    37 r48    26 a48    12 d48
  C    38 r49    37 a49    26 d49
  C    39 r50    28 a50    27 d50
  C    41 r51    40 a51    39 d51
  C    42 r52    31 a52    30 d52
  C    44 r53    33 a53    22 d53
  C    46 r54    35 a54    24 d54
  C    49 r55    38 a55    37 d55
  C    55 r56    49 a56    38 d56
  C    56 r57    55 a57    49 d57
  C    57 r58    56 a58    55 d58
  C    58 r59    57 a59    56 d59
  C    59 r60    58 a60    57 d60
Variables:
r2= 1.3802
r3= 1.3706
a3= 120.01
r4= 1.3802
a4= 120.00
d4= 359.97
r5= 1.3706
a5= 119.99
d5=   0.03
r6= 1.3705
a6= 119.99
d6=   0.03
r7= 1.3704
a7= 119.96
d7= 138.15
r8= 1.3704
a8= 107.98
d8= 217.44
r9= 1.3703
a9= 108.02
d9= 359.97
r10= 1.3804
a10= 120.07
d10= 359.97
r11= 1.3715
a11= 120.11
d11= 221.69
r12= 1.3799
a12= 119.87
d12=   0.15
r13= 1.3698
a13= 120.05
d13=   0.03
r14= 1.3704
a14= 119.97
d14=   0.03
r15= 1.3702
a15= 108.01
d15= 142.57
r16= 1.3696
a16= 108.08
d16= 142.73
r17= 1.3799
a17= 120.04
d17= 217.29
r18= 1.3716
a18= 119.89
d18= 359.97
r19= 1.3705
a19= 108.04
d19= 142.58
r20= 1.3703
a20= 107.99
d20= 217.44
r21= 1.3704
a21= 119.97
d21= 221.85
r22= 1.3702
a22= 107.97
d22= 142.56
r23= 1.3715
a23= 108.02
d23= 359.97
r24= 1.3693
a24= 107.83
d24=   0.03
r25= 1.3736
a25= 108.08
d25=   0.20
r26= 1.3729
a26= 120.09
d26= 138.56
r27= 1.3694
a27= 107.85
d27= 142.75
r28= 1.3693
a28= 108.26
d28= 359.97
r29= 1.3703
a29= 107.97
d29= 359.97
r30= 1.3702
a30= 108.04
d30=   0.03
r31= 1.3804
a31= 119.93
d31= 217.36
r32= 1.3704
a32= 119.98
d32= 138.16
r33= 1.3804
a33= 120.00
d33= 217.33
r34= 1.3695
a34= 120.01
d34= 138.37
r35= 1.3848
a35= 120.01
d35= 216.94
r36= 1.3739
a36= 119.83
d36= 139.17
r37= 1.3852
a37= 119.80
d37=   0.46
r38= 1.3746
a38= 120.08
d38= 358.59
r39= 1.3800
a39= 120.21
d39= 217.58
r40= 1.3696
a40= 120.04
d40= 137.97
r41= 1.3696
a41= 108.10
d41= 217.28
r42= 1.3715
a42= 120.10
d42= 359.81
r43= 1.3716
a43= 108.03
d43= 217.19
r44= 1.3697
a44= 120.08
d44= 359.89
r45= 1.3731
a45= 108.06
d45= 216.90
r46= 1.3746
a46= 119.80
d46= 359.63
r47= 1.3426
a47= 108.01
d47= 217.28
r48= 1.3426
a48= 119.25
d48= 221.15
r49= 1.3740
a49= 108.98
d49= 217.92
r50= 1.3735
a50= 120.08
d50= 359.46
r51= 1.3728
a51= 108.06
d51= 359.79
r52= 1.3693
a52= 107.86
d52= 142.77
r53= 1.3735
a53= 108.09
d53= 143.06
r54= 1.3425
a54= 108.13
d54= 142.98
r55= 1.3425
a55= 108.04
d55=   0.71
r56= 1.4358
a56= 120.29
d56= 141.94
r57= 1.3426
a57= 120.10
d57= 359.48
r58= 1.3747
a58= 108.15
d58= 218.50
r59= 1.3741
a59= 108.98
d59= 359.54
r60= 1.3427
a60= 108.02
d60=   0.71

===================================

From jkl@ccl.net Wed Dec  6 10:05:20 2000 -0500
Return-Path: >marketa@hamiltonian.chem.cornell.edu<
From: "Pascal Bonnet" >pascal@qorws1.uab.es<
Message-Id: >10012061124.ZM29478@qorws1.uab.es<
Date: Wed, 6 Dec 2000 11:24:38 -0800
To: marketa@hamiltonian.chem.cornell.edu
Subject: Re: CCL:Z-matrix input for C60



Hi,

	I send you the input coordinate file of C60 as zmatrix format and
cartesian coordinate fomat.
You can obtain these coordinates at the web page of prof. Yoshida:
http://shachi.cochem2.tutkie.tut.ac.jp/Fuller/Fuller.html

I hope it helps....
PB

On Sep 25,  7:13am, marketa@hamiltonian.chem.cornell.edu wrote:
< Subject: CCL:Z-matrix input for C60
<
< Hi,
<
< I wonder if someone could provide me with a Z-matrix input
< for buckminster-fullerene C60. I need my program to recognize
< as much of the icosahedral symmetry as possible.
<
<                            Thank you,
<
<                                  Marketa Munzarova
<
<
<

-- 
********************************************************************************
Pascal Bonnet 	pascal@qorws1.uab.es

Unitat Quimica Organica   and	   Institut de Chimie Organique et Analytique
Facultat de Ciences 		   UFR Sciences - UMR 6005
Universitat Autonoma de Barcelona  Rue de Chartres - BP 6759
08193 Bellaterra (SPAIN)	   45067 ORLEANS CEDEX 2 - France		   
Tel: 34935811266		   Tel: 0238494577  	    
Fax: 34935811265
********************************************************************************



  C 
  C    1 r2 
  C    1 r3    2 a3
  C    2 r4    1 a4    3 d4
  C    4 r5    2 a5    1 d5
  C    2 r6    1 a6    3 d6
  C    6 r7    2 a7    1 d7
  C    5 r8    4 a8    2 d8
  C    3 r9    1 a9    2 d9
  C    9 r10    3 a10    1 d10
  C    9 r11    3 a11    1 d11
  C    10 r12    9 a12    3 d12
  C    6 r13    2 a13    1 d13
  C    10 r14    9 a14    3 d14
  C    14 r15    10 a15    9 d15
  C    13 r16    6 a16    2 d16
  C    11 r17    9 a17    3 d17
  C    17 r18    11 a18    9 d18
  C    17 r19    11 a19    9 d19
  C    18 r20    17 a20    11 d20
  C    14 r21    10 a21    9 d21
  C    18 r22    17 a22    11 d22
  C    22 r23    18 a23    17 d23
  C    21 r24    14 a24    10 d24
  C    19 r25    17 a25    11 d25
  C    25 r26    19 a26    17 d26
  C    25 r27    19 a27    17 d27
  C    26 r28    25 a28    19 d28
  C    22 r29    18 a29    17 d29
  C    26 r30    25 a30    19 d30
  C    30 r31    26 a31    25 d31
  C    29 r32    22 a32    18 d32
  C    4 r33    2 a33    1 d33
  C    33 r34    4 a34    2 d34
  C    33 r35    4 a35    2 d35
  C    34 r36    33 a36    4 d36
  C    36 r37    34 a37    33 d37
  C    34 r38    33 a38    4 d38
  C    38 r39    34 a39    33 d39
  C    37 r40    36 a40    34 d40
  C    32 r41    29 a41    22 d41
  C    41 r42    32 a42    29 d42
  C    42 r43    41 a43    32 d43
  C    41 r44    32 a44    29 d44
  C    24 r45    21 a45    14 d45
  C    45 r46    24 a46    21 d46
  C    46 r47    45 a47    24 d47
  C    45 r48    24 a48    21 d48
  C    16 r49    13 a49    6 d49
  C    15 r50    14 a50    10 d50
  C    50 r51    15 a51    14 d51
  C    49 r52    16 a52    13 d52
  C    8 r53    5 a53    4 d53
  C    53 r54    8 a54    5 d54
  C    54 r55    53 a55    8 d55
  C    53 r56    8 a56    5 d56
  C    43 r57    42 a57    41 d57
  C    39 r58    38 a58    34 d58
  C    58 r59    39 a59    38 d59
  C    57 r60    43 a60    42 d60
  X    2 r61    1 a61    3 d61
  X    2 r62    1 a62    3 d62
  X    1 r63    2 a63    3 d63
  X    1 r64    2 a64    3 d64
  X    3 r65    1 a65    2 d65
  X    12 r66    10 a66    9 d66
  X    13 r67    6 a67    2 d67
  X    6 r68    2 a68    1 d68
  X    8 r69    5 a69    4 d69
  X    5 r70    4 a70    2 d70
  X    4 r71    2 a71    1 d71
  X    2 r72    1 a72    3 d72
  X    35 r73    33 a73    4 d73
  X    35 r74    33 a74    4 d74
  X    33 r75    4 a75    2 d75
  X    33 r76    4 a76    2 d76
  X    34 r77    33 a77    4 d77
  X    38 r78    34 a78    33 d78
  X    39 r79    38 a79    34 d79
  X    39 r80    38 a80    34 d80
  X    40 r81    37 a81    36 d81
  X    57 r82    43 a82    42 d82
  X    58 r83    39 a83    38 d83
  X    39 r84    38 a84    34 d84
  X    59 r85    58 a85    39 d85
  X    53 r86    8 a86    5 d86
  X    54 r87    53 a87    8 d87
  X    7 r88    6 a88    2 d88
  X    59 r89    58 a89    39 d89
  X    53 r90    8 a90    5 d90
  X    56 r91    53 a91    8 d91
  X    57 r92    43 a92    42 d92
  X    44 r93    41 a93    32 d93
  X    44 r94    41 a94    32 d94
  X    42 r95    41 a95    32 d95
  X    43 r96    42 a96    41 d96
  X    34 r97    33 a97    4 d97
  X    36 r98    34 a98    33 d98
  X    26 r99    25 a99    19 d99
  X    30 r100    26 a100    25 d100
  X    30 r101    26 a101    25 d101
  X    37 r102    36 a102    34 d102
  X    37 r103    36 a103    34 d103
  X    30 r104    26 a104    25 d104
  X    31 r105    30 a105    26 d105
  X    31 r106    30 a106    26 d106
  X    32 r107    29 a107    22 d107
  X    28 r108    26 a108    25 d108
  X    26 r109    25 a109    19 d109
  X    25 r110    19 a110    17 d110
  X    35 r111    33 a111    4 d111
  X    19 r112    17 a112    11 d112
  X    11 r113    9 a113    3 d113
  X    9 r114    3 a114    1 d114
  X    20 r115    18 a115    17 d115
  X    18 r116    17 a116    11 d116
  X    18 r117    17 a117    11 d117
  X    22 r118    18 a118    17 d118
  X    28 r119    26 a119    25 d119
  X    17 r120    11 a120    9 d120
  X    19 r121    17 a121    11 d121
  X    32 r122    29 a122    22 d122
  X    47 r123    46 a123    45 d123
  X    46 r124    45 a124    24 d124
  X    23 r125    22 a125    18 d125
  X    22 r126    18 a126    17 d126
  X    23 r127    22 a127    18 d127
  X    20 r128    18 a128    17 d128
  X    24 r129    21 a129    14 d129
  X    51 r130    50 a130    15 d130
  X    45 r131    24 a131    21 d131
  X    45 r132    24 a132    21 d132
  X    48 r133    45 a133    24 d133
  X    44 r134    41 a134    32 d134
  X    48 r135    45 a135    24 d135
  X    52 r136    49 a136    16 d136
  X    54 r137    53 a137    8 d137
  X    55 r138    54 a138    53 d138
  X    16 r139    13 a139    6 d139
  X    49 r140    16 a140    13 d140
  X    49 r141    16 a141    13 d141
  X    15 r142    14 a142    10 d142
  X    16 r143    13 a143    6 d143
  X    15 r144    14 a144    10 d144
  X    21 r145    14 a145    10 d145
  X    10 r146    9 a146    3 d146
  X    51 r147    50 a147    15 d147
  X    13 r148    6 a148    2 d148
  X    10 r149    9 a149    3 d149
  X    10 r150    9 a150    3 d150
Variables:
r2= 1.4530
r3= 1.3907
a3= 120.03
r4= 1.3902
a4= 120.00
d4=   0.05
r5= 1.4525
a5= 119.98
d5= 138.19
r6= 1.4530
a6= 108.00
d6= 142.62
r7= 1.3900
a7= 120.01
d7= 217.34
r8= 1.3896
a8= 120.03
d8=   0.03
r9= 2.4623
a9=  90.73
d9= 221.83
r10= 1.4538
a10=  89.29
d10= 359.97
r11= 1.3897
a11=  30.70
d11= 180.03
r12= 1.3904
a12= 119.97
d12= 359.95
r13= 1.4525
a13= 108.00
d13= 359.97
r14= 1.4525
a14= 107.99
d14= 142.64
r15= 1.3907
a15= 119.99
d15= 217.35
r16= 1.3905
a16= 119.98
d16= 217.36
r17= 2.4629
a17=  90.69
d17= 221.83
r18= 1.4521
a18=  89.26
d18=   0.03
r19= 1.3911
a19=  30.75
d19= 180.03
r20= 1.3895
a20= 120.04
d20= 359.94
r21= 1.4523
a21= 108.08
d21= 359.96
r22= 1.4536
a22= 108.01
d22= 142.63
r23= 1.3897
a23= 120.04
d23= 217.31
r24= 1.3897
a24= 120.06
d24= 217.41
r25= 2.4619
a25=  90.72
d25= 221.85
r26= 1.4523
a26=  89.30
d26= 359.96
r27= 1.3901
a27=  30.74
d27= 180.03
r28= 1.3898
a28= 120.02
d28= 359.97
r29= 1.4525
a29= 107.98
d29= 359.97
r30= 1.4537
a30= 108.04
d30= 142.66
r31= 1.3901
a31= 120.02
d31= 217.35
r32= 1.3906
a32= 119.98
d32= 217.38
r33= 1.4530
a33= 119.98
d33= 359.97
r34= 1.4527
a34= 107.97
d34= 142.66
r35= 1.3900
a35= 120.02
d35=   0.03
r36= 1.3907
a36= 119.99
d36= 217.38
r37= 1.4490
a37= 120.18
d37= 138.35
r38= 1.4526
a38= 108.01
d38= 359.95
r39= 1.3895
a39= 120.02
d39= 217.38
r40= 1.3903
a40= 119.87
d40= 359.85
r41= 2.3482
a41= 144.15
d41=  37.52
r42= 1.4519
a42=  72.11
d42= 116.43
r43= 1.3898
a43= 120.02
d43= 217.46
r44= 1.3907
a44= 143.91
d44= 359.73
r45= 2.3490
a45= 144.08
d45=  37.38
r46= 1.4525
a46=  72.05
d46= 116.56
r47= 1.3902
a47= 120.02
d47= 217.42
r48= 1.3900
a48= 143.98
d48= 359.95
r49= 2.3491
a49= 144.09
d49=  37.39
r50= 1.4525
a50= 120.02
d50= 138.24
r51= 1.3896
a51= 120.01
d51= 359.97
r52= 1.3900
a52= 143.97
d52= 359.95
r53= 2.3514
a53= 143.92
d53= 259.09
r54= 1.4534
a54=  71.97
d54= 116.61
r55= 1.3895
a55= 120.00
d55= 217.37
r56= 1.3901
a56= 144.06
d56=   0.10
r57= 1.4530
a57= 120.00
d57=   0.03
r58= 1.4471
a58= 120.20
d58= 138.24
r59= 1.3905
a59= 119.85
d59= 359.96
r60= 1.3900
a60= 120.00
d60= 359.94
r61= 0.7260
a61=   0.00
d61=   0.00
r62= 0.7260
a62= 107.97
d62= 142.65
r63= 0.6953
a63= 120.03
d63=   0.03
r64= 0.7264
a64= 108.05
d64= 217.35
r65= 0.7261
a65= 119.92
d65= 221.87
r66= 0.7260
a66= 119.86
d66= 138.19
r67= 0.7257
a67=   0.03
d67= 276.95
r68= 0.6946
a68= 120.05
d68= 217.35
r69= 0.7254
a69= 120.00
d69= 359.90
r70= 0.6942
a70= 120.04
d70=   0.05
r71= 0.7256
a71= 120.02
d71= 138.18
r72= 0.6948
a72= 119.96
d72=   0.03
r73= 0.7262
a73= 119.99
d73= 359.95
r74= 0.6950
a74=   0.00
d74=   0.00
r75= 0.6953
a75=   0.04
d75= 260.29
r76= 0.7261
a76= 107.96
d76= 142.59
r77= 0.7257
a77= 108.04
d77= 359.95
r78= 0.7261
a78= 107.98
d78=   0.06
r79= 0.6947
a79=   0.04
d79= 310.77
r80= 0.7269
a80= 119.86
d80= 359.81
r81= 0.7264
a81= 120.03
d81= 221.81
r82= 0.7262
a82=   0.03
d82= 221.85
r83= 0.7256
a83= 108.14
d83= 217.42
r84= 0.7204
a84= 120.20
d84= 138.29
r85= 0.6948
a85=   0.01
d85=   0.00
r86= 0.7268
a86=  36.08
d86= 296.74
r87= 0.7266
a87=   0.06
d87=  47.33
r88= 0.7267
a88= 119.99
d88= 138.17
r89= 0.7261
a89= 120.19
d89=   0.05
r90= 0.6948
a90= 144.00
d90=   0.14
r91= 0.7264
a91= 119.87
d91= 322.63
r92= 0.6950
a92= 120.00
d92= 359.94
r93= 0.7256
a93= 119.99
d93= 100.94
r94= 0.6953
a94=   0.04
d94= 232.78
r95= 0.7253
a95=   0.02
d95= 336.71
r96= 0.6947
a96=   0.06
d96= 162.06
r97= 0.6948
a97= 120.01
d97= 217.41
r98= 0.7260
a98= 119.94
d98= 359.77
r99= 0.7256
a99=   0.03
d99= 208.16
r100= 0.7265
a100=   0.03
d100= 193.30
r101= 0.7262
a101= 107.93
d101= 359.97
r102= 0.7230
a102=   0.06
d102= 310.96
r103= 0.6950
a103= 119.85
d103= 359.78
r104= 0.6948
a104= 119.96
d104= 217.39
r105= 0.7265
a105= 119.99
d105= 138.14
r106= 0.7269
a106= 120.04
d106=   0.10
r107= 0.6946
a107=   0.04
d107= 215.08
r108= 0.7261
a108= 120.00
d108= 138.08
r109= 0.6949
a109= 120.08
d109= 359.95
r110= 0.6948
a110=  30.72
d110= 179.90
r111= 0.7261
a111= 120.09
d111= 138.34
r112= 0.7261
a112= 119.97
d112= 221.85
r113= 0.7267
a113= 120.00
d113= 221.84
r114= 0.6947
a114=  30.69
d114= 179.91
r115= 0.7261
a115= 120.02
d115=   0.14
r116= 0.6948
a116= 120.02
d116= 359.97
r117= 0.7267
a117= 107.99
d117= 142.69
r118= 0.7262
a118= 107.98
d118= 359.97
r119= 0.7268
a119= 119.98
d119=   0.10
r120= 0.7260
a120=  89.26
d120=   0.03
r121= 0.6953
a121=   0.05
d121= 306.99
r122= 0.7259
a122= 120.05
d122= 359.90
r123= 0.7260
a123= 120.23
d123=   0.03
r124= 0.6948
a124= 120.05
d124= 217.42
r125= 0.7264
a125= 120.00
d125= 138.13
r126= 0.6947
a126= 120.01
d126= 217.38
r127= 0.7267
a127= 120.06
d127=   0.18
r128= 0.7267
a128= 119.98
d128= 138.08
r129= 0.6948
a129=   0.00
d129=   0.00
r130= 0.7261
a130= 119.99
d130= 359.97
r131= 0.7263
a131=  36.09
d131= 296.49
r132= 0.7262
a132=  72.05
d132= 116.56
r133= 0.6950
a133=   0.04
d133= 190.85
r134= 0.7262
a134= 119.98
d134= 322.71
r135= 0.7261
a135= 119.97
d135= 322.64
r136= 0.7266
a136= 120.07
d136= 322.82
r137= 0.6945
a137= 119.98
d137= 217.40
r138= 0.7254
a138= 120.07
d138= 359.90
r139= 0.7255
a139= 120.08
d139= 359.96
r140= 0.6947
a140= 143.94
d140= 359.94
r141= 0.7260
a141=  72.00
d141= 116.59
r142= 0.7259
a142= 120.05
d142= 138.20
r143= 0.7263
a143= 119.97
d143= 138.34
r144= 0.6950
a144=   0.02
d144=   0.00
r145= 0.7261
a145=   0.06
d145= 287.49
r146= 0.7258
a146= 108.00
d146= 142.64
r147= 0.6942
a147=   0.03
d147=   0.00
r148= 0.6948
a148= 120.03
d148= 217.36
r149= 0.7262
a149=   0.01
d149=   0.00
r150= 0.6951
a150= 119.93
d150= 359.97


=======================================================

 60
  C    1    2.226730    0.594920    2.684200    2   2   3  12
  C    2    3.134080    0.161810    1.635440    2   1   4   6
  C    3    1.342130   -0.311850    3.256820    2   1  35  11
  C    4    3.117650   -1.159560    1.204400    2   2   5  33
  C    5    3.216930   -1.462050   -0.213260    2   4   8  38
  C    6    3.250250    1.240130    0.668290    2   7   2  13
  C    7    3.345290    0.950710   -0.688050    2   8   6  54
  C    8    3.328380   -0.430390   -1.138540    2   5   7  59
  C    9   -0.452190    1.374270    3.230230    2  10  11  20
  C   10    0.472290    2.321910    2.631870    2  14   9  12
  C   11   -0.027000    0.086540    3.535890    2   9   3  19
  C   12    1.782170    1.940950    2.364960    2   1  10  13
  C   13    2.414560    2.339640    1.119120    2   6  12  16
  C   14   -0.264220    3.118480    1.665080    2  21  10  15
  C   15    0.340880    3.499990    0.473170    2  50  14  16
  C   16    1.709970    3.101980    0.194250    2  13  15  55
  C   17   -2.141500   -0.846500    2.686090    2  19  18  28
  C   18   -2.585870    0.499300    2.366750    2  17  20  22
  C   19   -0.890470   -1.048410    3.257750    2  27  17  11
  C   20   -1.759930    1.585190    2.632880    2  18  21   9
  C   21   -1.643750    2.662990    1.665550    2  20  14  24
  C   22   -3.332630    0.442150    1.121470    2  18  23  29
  C   23   -3.221550    1.473440    0.196030    2  22  24  46
  C   24   -2.358450    2.608490    0.474240    2  23  21  51
  C   25   -0.506670   -2.998220    1.803800    2  26  27  36
  C   26   -1.814140   -2.787320    1.206480    2  30  25  28
  C   27   -0.054970   -2.148180    2.806770    2  25  19  35
  C   28   -2.613600   -1.735240    1.637920    2  17  26  29
  C   29   -3.349590   -0.938890    0.670910    2  22  28  32
  C   30   -1.714530   -3.090350   -0.211190    2  37  26  31
  C   31   -2.418840   -2.328500   -1.136370    2  42  30  32
  C   32   -3.254550   -1.228980   -0.685460    2  29  31  47
  C   33    2.193000   -2.107290    1.802560    2  35  34   4
  C   34    1.720910   -2.995760    0.754440    2  33  36  38
  C   35    1.324810   -1.692910    2.806120    2   3  33  27
  C   36    0.400930   -3.431500    0.755070    2  34  37  25
  C   37   -0.345460   -3.488360   -0.490180    2  36  30  40
  C   38    2.353890   -2.597090   -0.491290    2   5  34  39
  C   39    1.639710   -2.651480   -1.682710    2  40  38  58
  C   40    0.260190   -3.107130   -1.682110    2  37  39  43
  C   41   -2.230680   -0.584280   -2.701320    2  44  42  47
  C   42   -1.785970   -1.930080   -2.382100    2  41  31  43
  C   43   -0.475910   -2.310710   -2.648970    2  40  42  57
  C   44   -1.346280    0.322850   -3.273640    2  60  41  48
  C   45   -2.197990    2.118350   -1.819620    2  46  48  51
  C   46   -3.122300    1.170370   -1.221530    2  23  45  47
  C   47   -3.138380   -0.151090   -1.652660    2  32  46  41
  C   48   -1.329630    1.704060   -2.823020    2  45  44  52
  C   49    0.501490    3.010120   -1.820490    2  52  50  55
  C   50   -0.406030    3.443130   -0.771880    2  49  15  51
  C   51   -1.725990    3.007160   -0.771470    2  24  50  45
  C   52    0.049970    2.159870   -2.823390    2  56  49  48
  C   53    2.137050    0.858790   -2.702690    2  54  56  59
  C   54    2.608990    1.747420   -1.654660    2   7  53  55
  C   55    1.809270    2.799410   -1.223290    2  16  54  49
  C   56    0.885930    1.060390   -3.274220    2  53  52  60
  C   57    0.448510   -1.362650   -3.246970    2  58  60  43
  C   58    1.756120   -1.573340   -2.649740    2  59  57  39
  C   59    2.581820   -0.487170   -2.383660    2   8  58  53
  C   60    0.023000   -0.074940   -3.552420    2  57  44  56





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Modified: Wed Dec 6 17:43:26 2000 GMT
Page accessed 18895 times since Sat Apr 17 21:18:37 1999 GMT