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	hartrees
Energy at 0K	-77.913035
Energy at 298.15K	-77.914530
HF Energy	-77.913035
Nuclear repulsion energy	28.346435

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3255	3134	0.70
2	A'	3166	3048	4.02
3	A'	3063	2949	5.12
4	A'	1655	1593	2.29
5	A'	1396	1344	6.79
6	A'	1053	1014	7.39
7	A'	718	691	23.47
8	A"	923	888	91.28
9	A"	811	780	19.32

Atom	x (Å)	y (Å)
C1	0.049	0.723
C2	0.049	-0.589
H3	-0.674	1.530
H4	-0.882	-1.167
H5	0.971	-1.169

	C1	C2	H3	H4	H5
C1		1.3122	1.0825	2.1068	2.1049
C2	1.3122		2.2383	1.0954	1.0895
H3	1.0825	2.2383		2.7047	3.1601
H4	2.1068	1.0954	2.7047		1.8527
H5	2.1049	1.0895	3.1601	1.8527

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.852		C1	C2	H5	122.159
C2	C1	H3	138.151		H4	C2	H5	115.989

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: B3LYPultrafine/6-31+G**

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	-0.164
2	C	-0.297
3	H	0.153
4	H	0.151
5	H	0.157

	x	y	z	Total
	-0.694	-0.338	0.000	0.772
CHELPG
AIM
ESP

	x	y	z
x	2.813	-0.064	0.000
y	-0.064	5.135	0.000
z	0.000	0.000	2.495

<r²>	20.649
(<r²>)^1/2	4.544

All results from a given calculation for C2H3 (vinyl)

using model chemistry: B3LYPultrafine/6-31+G**

States and conformations

All results from a given calculation for C₂H₃ (vinyl)