From owner-chemistry@ccl.net Sat Jan 22 02:21:00 2022 From: "SUMANGLA ARORA arorasumangla/./gmail.com" To: CCL Subject: CCL: values for triangular bipyramidal (TBP) and square pyramidal (SP) Message-Id: <-54586-220122021937-21701-1uPJ2Vd5O2A4mhgKxk7buw|-|server.ccl.net> X-Original-From: "SUMANGLA ARORA" Date: Sat, 22 Jan 2022 02:19:36 -0500 Sent to CCL by: "SUMANGLA ARORA" [arorasumangla[a]gmail.com] Dear All, How can we get the values for triangular bipyramidal (TBP) and square pyramidal (SP) geometry in the output file (DFT)? Thanks Sumangla