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	hartrees
Energy at 0K	-77.893992
Energy at 298.15K	-77.895500
HF Energy	-77.893992
Nuclear repulsion energy	28.477209

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3265	3116	1.85
2	A'	3179	3034	6.85
3	A'	3080	2940	7.39
4	A'	1671	1595	2.02
5	A'	1405	1341	8.51
6	A'	1069	1020	9.30
7	A'	728	695	24.19
8	A"	922	880	90.97
9	A"	831	793	11.47

Atom	x (Å)	y (Å)
C1	0.049	0.720
C2	0.049	-0.585
H3	-0.682	1.515
H4	-0.878	-1.162
H5	0.970	-1.163

	C1	C2	H3	H4	H5
C1		1.3044	1.0805	2.0979	2.0960
C2	1.3044		2.2234	1.0926	1.0873
H3	1.0805	2.2234		2.6840	3.1467
H4	2.0979	1.0926	2.6840		1.8482
H5	2.0960	1.0873	3.1467	1.8482

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.888		C1	C2	H5	122.149
C2	C1	H3	137.395		H4	C2	H5	115.963

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: mPW1PW91/6-311G*

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	-0.225
2	C	-0.477
3	H	0.236
4	H	0.229
5	H	0.237

	x	y	z	Total
	-0.641	-0.286	0.000	0.701
CHELPG
AIM
ESP

	x	y	z
x	2.602	-0.179	0.001
y	-0.179	4.662	-0.001
z	0.001	-0.001	1.712

<r²>	20.263
(<r²>)^1/2	4.501

All results from a given calculation for C2H3 (vinyl)

using model chemistry: mPW1PW91/6-311G*

States and conformations

All results from a given calculation for C₂H₃ (vinyl)