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	hartrees
Energy at 0K	-77.802195
Energy at 298.15K
HF Energy	-77.723588
Nuclear repulsion energy	28.402801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3295	3126	2.57	92.01	0.25	0.40
2	A'	3216	3051	6.21	74.34	0.57	0.72
3	A'	3115	2955	4.95	104.78	0.21	0.34
4	A'	1708	1620	1.62	13.42	0.14	0.25
5	A'	1437	1363	5.61	20.78	0.46	0.63
6	A'	1093	1037	9.78	2.83	0.67	0.80
7	A'	745	707	21.32	4.85	0.75	0.85
8	A"	942	893	75.62	0.02	0.75	0.86
9	A"	831	788	7.19	1.74	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.050	0.723
C2	0.050	-0.587
H3	-0.688	1.513
H4	-0.878	-1.165
H5	0.970	-1.166

	C1	C2	H3	H4	H5
C1		1.3101	1.0809	2.1035	2.1016
C2	1.3101		2.2260	1.0927	1.0873
H3	1.0809	2.2260		2.6850	3.1509
H4	2.1035	1.0927	2.6850		1.8473
H5	2.1016	1.0873	3.1509	1.8473

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.937		C1	C2	H5	122.202
C2	C1	H3	136.972		H4	C2	H5	115.861

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: B2PLYP=FULLultrafine/6-31G*

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	-0.148
2	C	-0.363
3	H	0.172
4	H	0.167
5	H	0.172

	x	y	z	Total
	-0.591	-0.251	0.000	0.642
CHELPG
AIM
ESP

	x	y	z
x	2.432	-0.253	0.000
y	-0.253	4.356	0.000
z	0.000	0.000	1.268

<r²>	20.215
(<r²>)^1/2	4.496

All results from a given calculation for C2H3 (vinyl)

using model chemistry: B2PLYP=FULLultrafine/6-31G*

States and conformations

All results from a given calculation for C₂H₃ (vinyl)