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	hartrees
Energy at 0K	-77.405782
Energy at 298.15K	-77.407361
HF Energy	-77.405782
Nuclear repulsion energy	28.341028

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3389	3065	3.21
2	A'	3339	3020	13.42
3	A'	3245	2935	11.18
4	A'	1622	1467	2.93
5	A'	1399	1265	4.06
6	A'	1188	1074	8.23
7	A'	824	745	13.82
8	A"	955	864	80.59
9	A"	884	800	4.61

Atom	x (Å)	y (Å)
C1	0.051	0.732
C2	0.051	-0.593
H3	-0.714	1.483
H4	-0.869	-1.159
H5	0.969	-1.157

	C1	C2	H3	H4	H5
C1		1.3249	1.0723	2.1033	2.0999
C2	1.3249		2.2123	1.0804	1.0769
H3	1.0723	2.2123		2.6465	3.1305
H4	2.1033	1.0804	2.6465		1.8373
H5	2.0999	1.0769	3.1305	1.8373

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.624		C1	C2	H5	121.586
C2	C1	H3	134.433		H4	C2	H5	116.790

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: HF/6-311G*

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	-0.235
2	C	-0.464
3	H	0.239
4	H	0.227
5	H	0.233

	x	y	z	Total
	-0.582	-0.262	0.000	0.638
CHELPG
AIM
ESP	-0.582	-0.277	0.000	0.644

	x	y	z
x	2.480	-0.223	0.000
y	-0.223	4.296	0.000
z	0.000	0.000	1.644

<r²>	20.475
(<r²>)^1/2	4.525

All results from a given calculation for C2H3 (vinyl)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for C₂H₃ (vinyl)