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FFCM AdjList correction: CH2OCH2
CH2OCH2 is a singlet cyclic species
1 parent 0188472 commit c9f5520

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Lines changed: 7 additions & 8 deletions

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

Lines changed: 7 additions & 8 deletions
Original file line numberDiff line numberDiff line change
@@ -1335,14 +1335,13 @@
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label = "CH2OCH2",
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molecule =
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"""
1338-
multiplicity 3
1339-
1 C u1 p0 c0 {2,S} {3,S} {4,S}
1340-
2 H u0 p0 c0 {1,S}
1341-
3 H u0 p0 c0 {1,S}
1342-
4 O u0 p2 c0 {1,S} {5,S}
1343-
5 C u1 p0 c0 {4,S} {6,S} {7,S}
1344-
6 H u0 p0 c0 {5,S}
1345-
7 H u0 p0 c0 {5,S}
1338+
1 C u0 p0 c0 {2,S} {3,S} {4,S} {5,S}
1339+
2 C u0 p0 c0 {1,S} {3,S} {6,S} {7,S}
1340+
3 O u0 p2 c0 {1,S} {2,S}
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4 H u0 p0 c0 {1,S}
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5 H u0 p0 c0 {1,S}
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6 H u0 p0 c0 {2,S}
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7 H u0 p0 c0 {2,S}
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""",
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thermo = NASA(
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polynomials = [

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