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Corrected the structure of HON in our kinetic nitrogen libraries
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It is a singlet (unless explicitly otherwise noted)
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alongd committed Aug 6, 2019
1 parent 3157997 commit 722efd5
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Showing 3 changed files with 9 additions and 10 deletions.
Original file line number Diff line number Diff line change
Expand Up @@ -759,9 +759,9 @@ multiplicity 2
10 O u1 p2 c0 {4,S}

HON
1 O u0 p2 c0 {2,S} {3,S}
2 H u0 p0 c0 {1,S}
3 N u0 p2 c0 {1,S}
1 O u0 p1 c+1 {2,D} {3,S}
2 N u0 p2 c-1 {1,D}
3 H u0 p0 c0 {1,S}

H2CCCH
multiplicity 2
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Original file line number Diff line number Diff line change
Expand Up @@ -568,9 +568,9 @@ C2H5NO
9 O u0 p2 c0 {3,D}

HON
1 O u0 p2 c0 {2,S} {3,S}
2 H u0 p0 c0 {1,S}
3 N u0 p2 c0 {1,S}
1 O u0 p1 c+1 {2,D} {3,S}
2 N u0 p2 c-1 {1,D}
3 H u0 p0 c0 {1,S}

NH3
1 N u0 p1 c0 {2,S} {3,S} {4,S}
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Original file line number Diff line number Diff line change
Expand Up @@ -160,10 +160,9 @@ HNO
3 H u0 p0 c0 {1,S}

HON
multiplicity 3
1 O u0 p2 c0 {2,S} {3,S}
2 H u0 p0 c0 {1,S}
3 N u2 p1 c0 {1,S}
1 O u0 p1 c+1 {2,D} {3,S}
2 N u0 p2 c-1 {1,D}
3 H u0 p0 c0 {1,S}

HNOH
multiplicity 2
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