Hey Guys,

I have been having problems trying to perform the following optimization calculation:

$comment
FAg-S_EA_Scan
$end

$molecule
0 1
Ag
F 1 B1

B1 2.210000
$end

$rem
JOBTYPE OPT
EXCHANGE HF
CORRELATION CCSD
UNRESTRICTED TRUE
EOM_EA_ALPHA [2,0,0,0]
SCF_GUESS CORE
CC_STATE_TO_OPT [1,2]
SCF_CONVERGENCE 8
MAX_SCF_CYCLES 3000
THRESH 14
MEM_STATIC 512
BASIS GEN
ECP GEN
PRINT_GENERAL_BASIS TRUE
PRINT_ORBITALS 99999
$end

$basis
F 0
aug-cc-pvtz
****
Ag 0
S 3 1.00
0.9088442000D+01 -0.1964813110D+01
0.7540731000D+01 0.2733219274D+01
0.2794005000D+01 0.1991147908D+00
S 1 1.00
0.1480158000D+01 0.1000000000D+01
S 1 1.00
0.6538510000D+00 0.1000000000D+01
S 1 1.00
0.1244880000D+00 0.1000000000D+01
S 1 1.00
0.4926400000D-01 0.1000000000D+01
S 1 1.00
0.1600000000D-01 0.1000000000D+01
S 1 1.00
0.0320000000D-01 0.1000000000D+01
S 1 1.00
0.0064000000D-01 0.1000000000D+01
S 1 1.00
0.0012800000D-01 0.1000000000D+01
S 1 1.00
0.0002560000D-01 0.1000000000D+01
P 2 1.00
0.4451240000D+01 -0.6083378019D+01
0.3675263000D+01 0.6416854320D+01
P 2 1.00
0.1291288000D+01 0.7539735403D+00
0.6525780000D+00 0.2730597146D+00
P 1 1.00
0.3670360000D+00 0.1000000000D+01
P 1 1.00
0.7569400000D-01 0.1000000000D+01
P 1 1.00
0.2372300000D-01 0.1000000000D+01
P 1 1.00
0.04744600000D-01 0.1000000000D+01
P 1 1.00
0.00948920000D-01 0.1000000000D+01
P 1 1.00
0.00189784000D-01 0.1000000000D+01
P 1 1.00
0.0003956800D-01 0.1000000000D+01
D 4 1.00
0.7994730000D+01 -0.1638760066D-01
0.2784773000D+01 0.2814107114D+00
0.1209744000D+01 0.4863264197D+00
0.5053930000D+00 0.3867258157D+00
D 1 1.00
0.1988510000D+00 0.1000000000D+01
D 1 1.00
0.6600000000D-01 0.1000000000D+01
****
$end

$ecp
AG 0
AG-ECP 4 28
g-ul potential
1
2 1.000000000 0.000000000
s-ul potential
2
2 13.130000000 255.139365000
2 6.510000000 36.866122000
p-ul potential
2
2 11.740000000 182.181869000
2 6.200000000 30.357751000
d-ul potential
2
2 10.210000000 73.719261000
2 4.380000000 12.502117000
f-ul potential
2
2 14.220000000 -33.689920000
2 7.110000000 -5.531120000
****
$end

The following calculation is to try and optimize the AgF- anionic ground state by attaching an electron to the closed sheet ground state for the neutral species. I am not sure if i have set up this calculation incorrectly; however, overtime I try to run this calculation on WebMO, I am getting the following problem:

/home/qcsoftware/qchem-webmo/exe/qcprog.exe .input.inp.25617.qcin.1 /scratch/webmo/webmo-7810/28111/qchem25617/
Abort
terminate called after throwing an instance of 'libctx::ctx_exception'
what(): [libctx::root_storage::get(const std::string&)] Data key "/canmo/eomee_ccsd/hdiag/hd_ov" doesn't exist.