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	hartrees
Energy at 0K	-77.418782
Energy at 298.15K	-77.420370
HF Energy	-77.418782
Nuclear repulsion energy	28.442857

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3375	3067	0.54
2	A'	3320	3016	6.09
3	A'	3226	2931	6.21
4	A'	1618	1470	4.00
5	A'	1407	1278	4.02
6	A'	1176	1068	7.72
7	A'	815	741	12.87
8	A"	977	888	73.90
9	A"	901	819	11.89

Atom	x (Å)	y (Å)
C1	0.051	0.728
C2	0.051	-0.591
H3	-0.705	1.485
H4	-0.870	-1.153
H5	0.967	-1.154

	C1	C2	H3	H4	H5
C1		1.3183	1.0701	2.0940	2.0924
C2	1.3183		2.2089	1.0788	1.0751
H3	1.0701	2.2089		2.6430	3.1236
H4	2.0940	1.0788	2.6430		1.8365
H5	2.0924	1.0751	3.1236	1.8365

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.424		C1	C2	H5	121.574
C2	C1	H3	135.035		H4	C2	H5	117.001

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.255
2	C	-0.178
3	H	0.165
4	H	0.132
5	H	0.136

	x	y	z	Total
	-0.572	-0.278	0.000	0.636
CHELPG
AIM
ESP

	x	y	z
x	3.114	-0.133	0.000
y	-0.133	4.690	0.000
z	0.000	0.000	2.987

<r²>	20.456
(<r²>)^1/2	4.523

All results from a given calculation for C2H3 (vinyl)

using model chemistry: HF/6-311+G(3df,2p)

States and conformations

All results from a given calculation for C₂H₃ (vinyl)