$CONTRL SCFTYP=RHF CITYP=CIS RUNTYP=ENERGY ISPHER=1 ICHARG=0 MULT=1 $END
$CONTRL QMTTOL=1.0E-6 ICUT=11 UNITS=ANGS $END
$SCF FDIFF=.T. $END
$SYSTEM MWORDS=1000 MEMDDI=1000 $END
$BASIS GBASIS=ACCT $END
$GUESS GUESS=MOREAD NORB=805 $END
$STATPT OPTTOL=0.0003 $END
$CIS NSTATE=15 MULT=1 $END
The error is ...WARNING (SYMORB.SRC)...
THE INPUT BASIS SET CONTAINS APPROXIMATE LINEAR DEPENDENCE.
THE SMALLEST EIGENVALUE OF THE OVERLAP MATRIX IS 5.963213E-07
THERE ARE 2 EIGENVALUES LESS THAN QMTTOL= 1.00E-06
EIGENVECTORS BELOW -QMTTOL- ARE DROPPED FROM THE MO SPACE,
IN ORDER TO ELIMINATE THE APPROXIMATE LINEAR DEPENDENCE.
THIS WILL MOST LIKELY CHANGE THE ENERGY ON THE ORDER OF TENS OF MICROHARTREES,
DEPENDING ON THE NUMBER OF ORBITALS REMOVED. THE VALUE OF QMTTOL CAN BE
CHANGED IN $CONTRL: JOBS WITH EIGENVALUES BELOW 1.0E-07 PROBABLY WON'T
CONVERGE. EIGENVALUES BETWEEN 1.0E-07 AND 1.0E-06 MAY REQUIRE LOOSENING OF
THE DENSITY CRITERION (CONV IN $SCF), MORE ACCURATE INTEGRAL EVALUATION
(ICUT=11 IN $CONTRL), MORE ACCURATE DIRECT SCF FOCK MATRIX
CONSTRUCTION (FDIFF=.FALSE. IN $SCF), OR CHANGING THE SCF CONVERGER
(DIIS=.TRUE. IN $SCF).
* * * * * WARNING * * * * *
POSSIBLE LINEAR DEPENDENCE PROBLEMS DETECTED, INPUT QMTTOL= 1.0E-06,
WITH 17 OVERLAP EIGENVALUES LYING BETWEEN 1.0E-05 AND QMTTOL.
IF YOU EXPERIENCE SCF CONVERGENCE DIFFICULTIES WITH THE DENSITY ALMOST BUT
NOT QUITE CONVERGED, YOU MAY NEED TO LOOSEN -QMTTOL- BY A FACTOR 5 TO 10.
*** ERROR: PREMATURE END OF ORBITAL INPUT ENCOUNTERED
(READMO) LOOKING FOR ORBITAL 804 LINE 1
EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Thu Oct 12 12:03:12 2023