From cdbc27838fe191f49150ca6a056cdbf34b73c0ca Mon Sep 17 00:00:00 2001 From: Colin Grambow Date: Fri, 14 Jun 2019 09:42:37 -0400 Subject: [PATCH] Update entropy of triplet oxygen atom --- input/thermo/libraries/primaryThermoLibrary.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/input/thermo/libraries/primaryThermoLibrary.py b/input/thermo/libraries/primaryThermoLibrary.py index 487520d970..d3415c31fb 100644 --- a/input/thermo/libraries/primaryThermoLibrary.py +++ b/input/thermo/libraries/primaryThermoLibrary.py @@ -645,7 +645,7 @@ Tdata = ([300,400,500,600,800,1000,1500],'K'), Cpdata = ([4.968,4.968,4.968,4.968,4.968,4.968,4.968],'cal/(mol*K)'), H298 = (59.567,'kcal/mol'), - S298 = (36.433,'cal/(mol*K)'), + S298 = (38.49,'cal/(mol*K)'), ), shortDesc = u"""""", longDesc =