Use Avogadro software (free) to do geometry optimization. BTW, you can build the structure easier using ChemDraw.

Chemdraw is a good chioce

where is impact point of iranian universities?

You can draw your molecule in 2D and transfer to SMILES for 3D.

Hello Amal

You can find the useful references on attachment 1

https://www.google.com/url?sa=t&rct=j&q=&esrc=s&source=web&cd=3&cad=rja&uact=8&ved=0ahUKEwifm6jRuafWAhWG0RQKHVnDChEQFggvMAI&url=http%3A%2F%2Fwaset.org%2Fpublications%2F10005987%2Fcosmo-rs-prediction-for-choline-chloride-urea-based-deep-eutectic-solvent-chemical-structure-and-application-as-agent-for-natural-gas-dehydration&usg=AFQjCNETW5Z20dtEmyi2JtFohvlNvLrDJw

2

https://www.cosmologic.de/files/downloads/manuals/COSMOtherm_UserGuide.pdf

3

https://daneshyari.com/article/preview/145984.pdf

4

https://www.cacheresearch.com/Tutorial_making_COSMO_files.pdf

5

https://www.google.com/url?sa=t&rct=j&q=&esrc=s&source=web&cd=7&cad=rja&uact=8&ved=0ahUKEwifm6jRuafWAhWG0RQKHVnDChEQFghHMAY&url=https%3A%2F%2Facs.expoplanner.com%2Ffiles%2Fpacifichem15%2FExhibFiles%2F1048_3989_COSMOlogic_Software2015.pdf&usg=AFQjCNH4Tv-THHf2lkCMzlD2dXqv0826lw

6

https://www.turbo-forum.com/index.php?topic=943.0

7

https://umexpert.um.edu.my/file/publication/00009938_140487.pdf

8

https://www.turbomole-gmbh.com/manuals/version_6_6/Turbomole_Manual_6-6.pdf

9

https://www.learningace.com/doc/1618941/2b568a23ae2a2e152c7dc92de816dca3/distill

10

https://www.google.com/url?sa=t&rct=j&q=&esrc=s&source=web&cd=12&cad=rja&uact=8&ved=0ahUKEwjni_qXu6fWAhWJtBQKHSVQCx44ChAWCCgwAQ&url=http%3A%2F%2Ftheses.ucalgary.ca%2Fbitstream%2F11023%2F1531%2F4%2FUcalgary_2014_Mortazavi%2520Manesh_Soheil.pdf&usg=AFQjCNFnbEPO-wP1u9_ePYK4bbnQVdIS7w

11

https://ccl.net/cca/archived-messages/11/07/20

12

https://www.google.com/url?sa=t&rct=j&q=&esrc=s&source=web&cd=14&cad=rja&uact=8&ved=0ahUKEwjni_qXu6fWAhWJtBQKHSVQCx44ChAWCDIwAw&url=ftp%3A%2F%2Fftp.math.utah.edu%2Fpub%2Ftex%2Fbib%2Ftoc%2Fjcomputchem2010.html&usg=AFQjCNGAj-03nmqKci-x-5C6jokRqMnbxQ

13

https://core.ac.uk/download/pdf/46811380.pdf

14

https://d-nb.info/1080106014/34

15

https://www.google.com/url?sa=t&rct=j&q=&esrc=s&source=web&cd=17&cad=rja&uact=8&ved=0ahUKEwjni_qXu6fWAhWJtBQKHSVQCx44ChAWCD4wBg&url=https%3A%2F%2Fwww.scribd.com%2Fdocument%2F257670583%2FTurbomole-Manual-6-5&usg=AFQjCNFX-nR2PnKEKNE6DUGal-kPv4hTXQ

16

https://www.google.com/url?sa=t&rct=j&q=&esrc=s&source=web&cd=20&cad=rja&uact=8&ved=0ahUKEwjni_qXu6fWAhWJtBQKHSVQCx44ChAWCE0wCQ&url=http%3A%2F%2Fciteseerx.ist.psu.edu%2Fviewdoc%2Fdownload%3Fdoi%3D10.1.1.488.7975%26rep%3Drep1%26type%3Dpdf&usg=AFQjCNF6CFWa3UJskF7L1BVYOfDGibE8mQ

17

https://daneshyari.com/article/preview/145984.pdf

18

https://umexpert.um.edu.my/file/publication/00009938_140487.pdf

19

https://www.turbomole-gmbh.com/manuals/version_6_5/Turbomole_Manual_6-5.pdf

20

http://manualzz.com/doc/18438430/vapour-liquid-equilibrium-of-carbon-dioxide-in-newly-prop...

Laith Al-Ani , thank you for your help.