Vibrational frequencies, IR/Raman & thermochemistry (aoforce, NumForce, freeh)

Second derivatives, IR and Raman, imaginary modes, ZPE, freeh.

Go Down Pages1 2 3 ... 6

Replies: 2
Views: 88,350

September 10, 2025, 05:34:52 PM
by ccamacho

qRRHO in Freeh

Started by arndf

Replies: 2
Views: 83,174

September 09, 2025, 01:01:43 PM
by arndf

Replies: 2
Views: 78,699

April 17, 2025, 03:42:11 PM
by avsfan92

Replies: 10
Views: 147,405

August 30, 2024, 11:49:39 AM
by uwe

Replies: 1
Views: 62,105

July 02, 2024, 11:57:09 AM
by uwe

Replies: 1
Views: 62,809

March 24, 2024, 06:02:29 PM
by christof.haettig

Replies: 0
Views: 55,371

July 13, 2023, 04:33:38 PM
by Dempsey

Replies: 0
Views: 59,432

April 13, 2023, 02:15:14 PM
by KrisR

Replies: 0
Views: 61,168

September 01, 2022, 09:23:59 AM
by mariavd

Replies: 0
Views: 50,697

March 02, 2022, 01:41:13 PM
by Dempsey

Replies: 6
Views: 91,803

February 17, 2022, 12:54:07 PM
by Dempsey

Replies: 12
Views: 135,560

April 14, 2021, 11:45:54 AM
by marand

Replies: 3
Views: 66,668

February 13, 2021, 10:01:09 PM
by antti_karttunen

Replies: 0
Views: 57,046

January 26, 2021, 04:07:01 PM
by yva82

Replies: 2
Views: 76,405

October 01, 2020, 03:14:47 PM
by agnesst

Replies: 0
Views: 49,446

May 11, 2020, 02:04:30 PM
by tonyst

Replies: 4
Views: 74,426

May 07, 2020, 12:46:27 PM
by baishaotao

Replies: 1
Views: 57,565

April 01, 2020, 11:55:47 AM
by Arnim

Replies: 8
Views: 105,153

February 23, 2020, 03:01:39 PM
by uwe

raman script

Started by martijn

Replies: 3
Views: 69,864

October 25, 2019, 03:39:32 PM
by martijn

Go Up Pages1 2 3 ... 6

Moved Topic

Locked Topic
Sticky Topic
Topic you are watching