CASSCF calculation using ghost atom
I'm trying to perform a CAS(4, 4) calculation on my desired molecule using an aug-cc-pVDZ basis set for atoms (nuclei is present) and aug-cc-pCVQZ basis set for ghost atom (nuclei is absent), but I'm unable to perform that, as every time I try to do that, the following error pops up,
"
CISIZ2 ERROR, ISYM.gt.MAXSYM .or. ITYPE.gt.MTYP
ISYM,ITYPE 1 1
MAXSYM,MTYP 0 30
--- SEVERE ERROR, PROGRAM WILL BE ABORTED ---
Date and time (Linux) : Wed May 15 15:01:35 2024
Host name : *****
Reason: ENFORCE PROG. INTERRUPT IN SUBR. CISIZ2
"
Does anyone know how to resolve it? Please let me know. Following are my .mol and .dal files
.mol file
ATOMBASIS
Atomtypes=3 Angstrom
Charge=6.0 Atoms=6 Basis=aug-cc-pVDZ
C -0.160027293 0.000000000 -1.201513165
C -1.316095986 -0.354690359 -0.503349165
C 0.996041400 0.354690359 -0.503349165
C -1.316095986 -0.354690359 0.892980835
C 0.996041400 0.354690359 0.892980835
C -0.160027293 0.000000000 1.591144835
Charge=1.0 Atoms=6 Basis=aug-cc-pVDZ
H -2.215521092 -0.630640582 -1.046522165
H 1.895466507 0.630640582 -1.046522165
H -2.215521092 -0.630640582 1.436153835
H 1.895466507 0.630640582 1.436153835
H -0.160027293 0.000000000 2.677491835
H -0.160027293 0.000000000 -2.287860165
Charge=1.0 Atoms=1 Basis=aug-cc-pCVQZ Ghost
X -0.133515705 0.011341708 0.194545578
.dal file
**DALTON INPUT
.RUN PROPERTIES
**WAVE FUNCTIONS
.HF
.MCSCF
*CONFIGURATION INPUT
.SPIN MULTIPLICITY
1
.SYMMETRY
1
.INACTIVE ORBITALS
6 4 5 3 1 0 0 0
.CAS SPACE
0 0 0 0 1 1 1 1
.ELECTRONS
4
**PROPERTIES
.SHIELD
**END OF DALTON INPUT