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	hartrees
Energy at 0K	-77.862925
Energy at 298.15K
HF Energy	-77.756334
Nuclear repulsion energy	28.563234

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'	3273	3127	0.66	95.46	0.26	0.41
2	A'	3182	3040	2.61	80.02	0.55	0.71
3	A'	3082	2945	3.68	126.97	0.20	0.33
4	A'	1675	1601	2.20	19.68	0.11	0.20
5	A'	1409	1346	8.31	18.08	0.41	0.58
6	A'	1064	1017	8.49	1.14	0.72	0.84
7	A'	721	688	21.62	2.65	0.73	0.84
8	A"	941	899	72.20	0.19	0.75	0.86
9	A"	834	797	17.39	3.38	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.049	0.717
C2	0.049	-0.585
H3	-0.669	1.518
H4	-0.879	-1.152
H5	0.964	-1.161

	C1	C2	H3	H4	H5
C1		1.3019	1.0748	2.0873	2.0895
C2	1.3019		2.2213	1.0878	1.0819
H3	1.0748	2.2213		2.6783	3.1370
H4	2.0873	1.0878	2.6783		1.8437
H5	2.0895	1.0819	3.1370	1.8437

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.464		C1	C2	H5	122.177
C2	C1	H3	138.125		H4	C2	H5	116.359

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: B2PLYP=FULLultrafine/cc-pVTZ

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	-0.181
2	C	-0.263
3	H	0.164
4	H	0.135
5	H	0.145

	x	y	z	Total
	-0.606	-0.296	0.000	0.674
CHELPG
AIM
ESP

	x	y	z
x	2.940	-0.152	0.000
y	-0.152	4.852	0.000
z	0.000	0.000	2.226

<r²>	20.318
(<r²>)^1/2	4.508

All results from a given calculation for C2H3 (vinyl)

using model chemistry: B2PLYP=FULLultrafine/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₃ (vinyl)