From 0f27b3879ff229421fdc2b95585f5e3b35f7ab41 Mon Sep 17 00:00:00 2001
From: Alon Grinberg Dana <alon@technion.ac.il>
Date: Mon, 28 Oct 2024 10:14:13 +0200
Subject: [PATCH] Updated TS checks in the arkane module

---
 arc/statmech/arkane.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/arc/statmech/arkane.py b/arc/statmech/arkane.py
index 23ae1d1d40..6dd01ca186 100644
--- a/arc/statmech/arkane.py
+++ b/arc/statmech/arkane.py
@@ -217,7 +217,7 @@ def compute_high_p_rate_coefficient(self,
             else:
                 ts_species.e0 = arkane_ts_species.conformer.E0.value_si * 0.001  # Convert to kJ/mol.
                 check_ts(reaction=self.reaction,
-                         checks=['energy', 'freq'],
+                         checks=['energy', 'NMD'],
                          rxn_zone_atom_indices=ts_species.rxn_zone_atom_indices,
                          skip_nmd=self.skip_nmd,
                          )