COSMO input file

Questions
#1

I would like to know if this input file is correct for COSMO model

$molecule
0 1
C 0.723294340 1.237040898 0.000000000
C -0.723294340 -1.237040898 0.000000000
C -0.723294340 1.237040898 0.000000000
C 0.723294340 -1.237040898 0.000000000
C 1.408951006 0.000000000 0.000000000
C -1.408951006 0.000000000 0.000000000
C 1.466665370 2.408281617 0.000000000
C -1.466665370 -2.408281617 0.000000000
C -1.466665370 2.408281617 0.000000000
C 1.466665370 -2.408281617 0.000000000
C 2.849485472 2.399709645 0.000000000
C -2.849485472 -2.399709645 0.000000000
C -2.849485472 2.399709645 0.000000000
C 2.849485472 -2.399709645 0.000000000
C 2.822886813 0.000000000 0.000000000
C -2.822886813 0.000000000 0.000000000
C 3.529869293 1.206917157 0.000000000
C -3.529869293 -1.206917157 0.000000000
C -3.529869293 1.206917157 0.000000000
C 3.529869293 -1.206917157 0.000000000
C 4.993148253 1.223566720 0.000000000
C -4.993148253 -1.223566720 0.000000000
C -4.993148253 1.223566720 0.000000000
C 4.993148253 -1.223566720 0.000000000
O 5.626618724 0.000000000 0.000000000
O -5.626618724 0.000000000 0.000000000
O 5.651535073 2.221806048 0.000000000
O -5.651535073 -2.221806048 0.000000000
O -5.651535073 2.221806048 0.000000000
O 5.651535073 -2.221806048 0.000000000
H 0.952340797 3.374058702 0.000000000
H 3.442535143 3.322567594 0.000000000
H -0.952340797 -3.374058702 0.000000000
H -3.442535143 -3.322567594 0.000000000
H -0.952340797 3.374058702 0.000000000
H -3.442535143 3.322567594 0.000000000
H 0.952340797 -3.374058702 0.000000000
H 3.442535143 -3.322567594 0.000000000
$end

$rem
METHOD CAM-B3LYP
SCF_CONVERGENCE 6
BASIS TZVP
SOLVENT_METHOD COSMO
$end

$solvent
CavityRadius 3.28
Dielectric 3
$end

#2

Use of COSMO requires a 3rd-party library that I don’t have (and which may or may not exist anymore now that COSMOtherm was bought out by Dessault). In any case you’d need to find that library and get instructions from there.

I suggest using SOLVENT_METHOD = SMD instead. Examples are in the manual,
https://manual.q-chem.com/latest/ex_SMx-User-Solvent.html

#3

Ok, I shall try this out.
Thanks