I am trying to optimize some molecules containing ferrocene. At first I started optimizing the neutral ferrocene only and cationic ferrocene only. the neutral ferrocene calculation terminated normally but the cationic calculation just ends without any error. This is my input and output:

input

$molecule

1 2

C -2.27569358 1.25528625 1.06623924

C -1.73266905 0.92075215 -0.18161216

C -2.56665159 1.45370853 -1.17375773

C -3.62510578 2.11762741 -0.53908585

C -3.44528385 1.99499568 0.84530841

H -1.86874666 0.99212581 2.02019983

H -2.42086102 1.36864677 -2.23036060

H -4.42935651 2.62848202 -1.02602362

H -4.08813101 2.39577913 1.60096714

Fe -3.62259346 0.15814424 0.00223290

C -4.39068800 -1.31178643 -1.17860526

C -5.42450885 -0.64724848 -0.50516198

C -5.20446550 -0.78707131 0.87177388

C -4.03465031 -1.53802426 1.04932385

C -3.53170854 -1.86231672 -0.21788012

H -4.27713187 -1.38583616 -2.23998248

H -6.23888383 -0.12482637 -0.96207395

H -5.82133317 -0.39014729 1.65076402

H -3.60152390 -1.81513912 1.98767817

H -2.64715261 -2.43050489 -0.41693529

H -0.83831529 0.35732584 -0.34769081

$end

$rem

jobtype opt

METHOD ccsd

BASIS def2-tzvp

AUX_BASIS rimp2-def2-tzvp

CC_MAX_ITER 400

gui 2

GEOM_OPT_MAX_CYCLES=500

MAX_SCF_CYCLES = 800

$end

## and the last part of the output file is -

â€¦

70 1.46e-07 3.64e-09

71 1.46e-07 6.97e-10

72 1.48e-07 5.18e-10

73 1.46e-07 1.84e-09

74 1.42e-07 3.94e-09

75 1.30e-07 7.03e-09

76 1.13e-07 7.56e-10

77 9.82e-08 8.42e-09

```
CCSD Lambda converged.
```

Computing density matrices in double precisionâ€¦

What is the cause of these calculation failures? How can I successfully run RICCSD calculations?

Thank you!