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	hartrees
Energy at 0K	-77.425011
Energy at 298.15K	-77.426549
HF Energy	-77.425011
Nuclear repulsion energy	28.447587

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3269	3127	2.18
2	A'	3176	3038	4.68
3	A'	3081	2947	2.26
4	A'	1671	1599	2.69
5	A'	1449	1386	9.39
6	A'	1095	1048	10.13
7	A'	748	715	26.24
8	A"	952	911	93.13
9	A"	860	822	18.65

Atom	x (Å)	y (Å)
C1	0.049	0.721
C2	0.049	-0.585
H3	-0.684	1.515
H4	-0.873	-1.172
H5	0.971	-1.163

	C1	C2	H3	H4	H5
C1		1.3063	1.0803	2.1056	2.0973
C2	1.3063		2.2239	1.0929	1.0877
H3	1.0803	2.2239		2.6928	3.1475
H4	2.1056	1.0929	2.6928		1.8438
H5	2.0973	1.0877	3.1475	1.8438

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	122.465		C1	C2	H5	122.077
C2	C1	H3	137.243		H4	C2	H5	115.458

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: B1B95/3-21G

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	-0.174
2	C	-0.493
3	H	0.218
4	H	0.220
5	H	0.229

	x	y	z	Total
	-0.645	-0.286	0.000	0.706
CHELPG
AIM
ESP

	x	y	z
x	2.243	-0.248	0.000
y	-0.248	4.202	0.000
z	0.000	0.000	0.965

<r²>	20.202
(<r²>)^1/2	4.495

All results from a given calculation for C2H3 (vinyl)

using model chemistry: B1B95/3-21G

States and conformations

All results from a given calculation for C₂H₃ (vinyl)