Job 527297 (Jetstream2) Error
litium ENERGY 6-311G** B3LYP D2h neutral triplet
Sometimes Molecular Orbitals fail to project onto excited state atoms. Use a
different MO approach:
1. Click Do More Calculations and double check your settings
2. Click Create Input File
3. Carefully edit the text file below. Change: GUESS=HUCKEL to GUESS=HCORE
4. Click Submit Job
EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Tue Jan 17 02:21:40 2023
If you just need to change a setting or restart the calculation use Do More
Calculations below
HUCKEL GUESS REQUIRES 3500 WORDS.
**** ERROR, ORBITAL 2 IS MISSING FROM REORDERING INSTRUCTIONS
1 0
SOMETIMES THE ABOVE ERROR IS CASED BY AN INABILITY TO
PROJECT THE HUCKEL GUESS ONTO THE CURRENT BASIS SET,
E.G. WHEN THE 1S HUCKEL ORBITAL OF A H ATOM CANNOT
BE PROJECTED ONTO A PURELY P BASIS SET BECAUSE YOU
ARE TRYING TO DO EXCITED STATE H ATOMS. IN SUCH A
CASE, PLEASE USE GUESS=HCORE OR GUESS=MOREAD INSTEAD.
EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Tue Jan 17 02:21:40 2023