From owner-chemistry@ccl.net Wed Jul  1 11:49:01 2020
From: "Sourabh Kumar sourabhkumar10021997 _ gmail.com" <owner-chemistry#,#server.ccl.net>
To: CCL
Subject: CCL:G: Absorption spectrum of Tin atom involved molecule
Message-Id: <-54130-200701112455-5975-q0DGXfFJR59UBiPgADu6Fw#,#server.ccl.net>
X-Original-From: "Sourabh  Kumar" <sourabhkumar10021997#%#gmail.com>
Date: Wed, 1 Jul 2020 11:24:54 -0400


Sent to CCL by: "Sourabh  Kumar" [sourabhkumar10021997 .. gmail.com]
Hi everyone, 

I am trying to do absorption spectrum calculations of a Tin atom 
involved molecule(containing S, C, O and hydrogen atoms too) with the 
level of a theory of PBE/LANL2DZ ECP Gen. But the spectra it is 
producing is of very less oscillator strength. I have also tried many 
other methods like B3LYP, B97, BLYP, BHHLYP, wB97, wB97M with user-
defined basis sets from basissetexchange.com but still, the oscillator 
strength is very week.

I have used Qchem, orca and also Gaussian but from all, I am getting 
very weak oscillator strength.

Could anyone please suggest what should I do here to solve this 
problem.

Sourabh Kumar
sourabhkumar10021997]_[gmail.com
University of Bremen