diff --git a/input/kinetics/libraries/FFCM1(-)/dictionary.txt b/input/kinetics/libraries/FFCM1(-)/dictionary.txt index 22d67353ca..b31386e6ea 100644 --- a/input/kinetics/libraries/FFCM1(-)/dictionary.txt +++ b/input/kinetics/libraries/FFCM1(-)/dictionary.txt @@ -216,9 +216,8 @@ multiplicity 2 6 O u0 p2 c0 {2,D} H2CC -multiplicity 3 1 C u0 p0 c0 {2,D} {3,S} {4,S} -2 C u2 p0 c0 {1,D} +2 C u0 p1 c0 {1,D} 3 H u0 p0 c0 {1,S} 4 H u0 p0 c0 {1,S} diff --git a/input/thermo/libraries/FFCM1(-).py b/input/thermo/libraries/FFCM1(-).py index 6d8f9f5d09..77b255a925 100644 --- a/input/thermo/libraries/FFCM1(-).py +++ b/input/thermo/libraries/FFCM1(-).py @@ -1018,9 +1018,8 @@ label = "H2CC", molecule = """ -multiplicity 3 1 C u0 p0 c0 {2,D} {3,S} {4,S} -2 C u2 p0 c0 {1,D} +2 C u0 p1 c0 {1,D} 3 H u0 p0 c0 {1,S} 4 H u0 p0 c0 {1,S} """, @@ -1398,14 +1397,13 @@ index = 48, label = "C2H3O", molecule = -""" -multiplicity 2 -1 C u0 p0 c0 {2,D} {4,S} {5,S} -2 C u0 p0 c0 {1,D} {3,S} {6,S} -3 O u1 p2 c0 {2,S} -4 H u0 p0 c0 {1,S} +"""multiplicity 2 +1 C u0 p0 c0 {2,S} {4,S} {5,S} {6,S} +2 C u1 p0 c0 {1,S} {3,S} {4,S} +3 H u0 p0 c0 {2,S} +4 O u0 p2 c0 {1,S} {2,S} 5 H u0 p0 c0 {1,S} -6 H u0 p0 c0 {2,S} +6 H u0 p0 c0 {1,S} """, thermo = NASA( polynomials = [