Subject: REQUEST FOR CALCULATION

From: elewars <[email-masked]>
Date: Fri, 27 Jul 2001 12:01:44 -0400

2001 July 27, Friday

Hello,

If anyone has access to the ACES II program (or some other program with
a fast CC optimization algorithm), and can find the time, I would
appreciate it if  they could subject the input structure below to a
CCSD(T)/6-31G* optimization and email me the Cartesians of the optimized
structure. If the optimization takes too long, the Cartesians for an
_unfinished_  job may still be useful to me, to show where the geometry
is going. If someone does try this, I would also appreciate knowing what
machine was used and how long it took.

Thanks,

E. Lewars

------------------------------------------------
  CCSD(T)/6-31G* requested

 C2F2O, charge=0, multiplicity=1

    C1        0.656697    0.220442   -0.044289
    O2       -0.457469    0.362686    0.620775
    F3        1.476651   -0.761318   -0.036919
    C4        0.128983    1.428372   -0.389388
    F5       -1.593798   -0.660278   -0.225763
-----------------------------------------------------