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	hartrees
Energy at 0K	-77.877783
Energy at 298.15K	-77.879303
HF Energy	-77.877783
Nuclear repulsion energy	28.384288

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3285	3130	1.12
2	A'	3204	3052	3.65
3	A'	3103	2956	4.35
4	A'	1678	1598	2.74
5	A'	1401	1334	7.67
6	A'	1067	1017	7.72
7	A'	731	696	22.95
8	A"	939	894	94.27
9	A"	842	802	21.28

Atom	x (Å)	y (Å)
C1	0.051	0.723
C2	0.051	-0.588
H3	-0.702	1.504
H4	-0.884	-1.154
H5	0.976	-1.162

	C1	C2	H3	H4	H5
C1		1.3111	1.0847	2.0968	2.0998
C2	1.3111		2.2235	1.0924	1.0885
H3	1.0847	2.2235		2.6643	3.1500
H4	2.0968	1.0924	2.6643		1.8594
H5	2.0998	1.0885	3.1500	1.8594

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.196		C1	C2	H5	121.823
C2	C1	H3	136.067		H4	C2	H5	116.981

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: wB97X-D/cc-pVDZ

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	-0.183
2	C	-0.324
3	H	0.170
4	H	0.164
5	H	0.173

	x	y	z	Total
	-0.713	-0.343	0.000	0.791
CHELPG
AIM
ESP

	x	y	z
x	2.639	-0.235	0.000
y	-0.235	4.661	0.000
z	0.000	0.000	1.577

<r²>	20.487
(<r²>)^1/2	4.526

All results from a given calculation for C2H3 (vinyl)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₃ (vinyl)