Subject: Mopac6 on PC

From: <[email-masked]>
Date: Sat, 18 Jun 94 10:14:35 EDT

Dear netters.
I installed the MOPAC6 program (from CCL) in my 486-PC.
It was compiled and linked successfully by f2c and gcc with some
minor modifications on file I/O and DATE/TIME functions.
(MOPAC.FOR SECOND.FOR)
But it stops with the message :
 "THE HAMILTONIAN REQUESTED IS NOT AVAILABLE IN THIS PROGRAM".
The input is :
> CHARGE=2 OPEN(4,3) SINGLET ROOT=6 force
> methane ROF dication, 6-th singlet state (....
> Check that vibrational .....
> H
> C     1.2298156
> H     1.2298516   0   109.471221
> H     1.2298516   0   109.471221    0     -120.0     0    2   1   3
> H     1.2298516   0   109.471221    0      120.0     0    2   1   3

Any help will be greatly appreciated!
Thank you

Chong Hak Chae ([email-masked])