Status of 99.5,  27.9.99

Relative to 98.1, there are the following changes and additions:

1.) MCSCF second derivatives of Riccardo Tarroni added
    (preliminary version, only without symmetry). Frequency
    and geometry optimization programs are modified so that they
    can use the analytic hessian.

2.) New internally contracted rs2 of Paolo Celani (command RS2C).

3.) EOM-CCSD for excited states of Tatiana Korona.

4.) QCISD dipole moments (energy derivatives) by Guntram Rauhut.
    QCISD gradients are under way.

5.) Linear scaling (cpu and memory) LMP2 as described by 
    Schuetz, Hetzer, Werner (J. Chem. Phys., in press). 
    Improved LCCSD, with almost scaling behaviour.
    These features are only available with the LOCAL and DIRECT modules.

6.) Improved handling of basis and geometry records. 98.1 and 99.1 dumpfiles
    can be restarted, but files created by 99.2 cannot be used any more.
    In case of problems with restarting old wfu files, add RESTART,NOGEOM 
    immediately after the file card. Also, if there are unjustified messages 
    coming up in very large cases about "ORBITALS CORRESPOND TO DIFFERENT GEOMETRY"
    try ORBITAL,record,NOCHECK. (This can happen for cases with more than 100 
    atoms, since the old version was limited to 100).

7.) Reorganization and generalization of basis input (see manual). 
    Increased basis library.

8.) Counterpoise geometry optimizations (see manual).

9.) Improved running procedures for MPP machines. 
    Parallel direct scf and scf gradients are working. 
    These features are only available with the MPP module.

10.) Important bugfixes for
     a) DFT Grid. 
     b) CCSD with paging.
     c) Finite field calculations without core orbitals.
     d) Corrected RCCSD. See erratum.
     e) Spin-orbit coupling.

11.) Many internal changes, see README files to 98.2 - 99.3