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Updated H2CC adjList in FFCM(-)
Vinylidene is a singlet, not triplet
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2 files changed

+2
-4
lines changed

2 files changed

+2
-4
lines changed

input/kinetics/libraries/FFCM1(-)/dictionary.txt

Lines changed: 1 addition & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -216,9 +216,8 @@ multiplicity 2
216216
6 O u0 p2 c0 {2,D}
217217

218218
H2CC
219-
multiplicity 3
220219
1 C u0 p0 c0 {2,D} {3,S} {4,S}
221-
2 C u2 p0 c0 {1,D}
220+
2 C u0 p1 c0 {1,D}
222221
3 H u0 p0 c0 {1,S}
223222
4 H u0 p0 c0 {1,S}
224223

input/thermo/libraries/FFCM1(-).py

Lines changed: 1 addition & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -1018,9 +1018,8 @@
10181018
label = "H2CC",
10191019
molecule =
10201020
"""
1021-
multiplicity 3
10221021
1 C u0 p0 c0 {2,D} {3,S} {4,S}
1023-
2 C u2 p0 c0 {1,D}
1022+
2 C u0 p1 c0 {1,D}
10241023
3 H u0 p0 c0 {1,S}
10251024
4 H u0 p0 c0 {1,S}
10261025
""",

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