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	hartrees
Energy at 0K	-76.789585
Energy at 298.15K	-76.791105
HF Energy	-76.754784
Nuclear repulsion energy	28.220532

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3519	3519	0.82
2	A'	3496	3496	3.39
3	A'	3374	3374	17.38
4	A'	1851	1851	4.30
5	A'	1555	1555	2.17
6	A'	1198	1198	6.64
7	A'	812	812	7.74
8	A"	1023	1023	32.39
9	A"	949	949	0.00

Atom	x (Å)	y (Å)
C1	0.053	0.730
C2	0.053	-0.586
H3	-0.748	1.482
H4	-0.873	-1.183
H5	0.985	-1.167

	C1	C2	H3	H4	H5
C1		1.3158	1.0985	2.1251	2.1136
C2	1.3158		2.2171	1.1015	1.0981
H3	1.0985	2.2171		2.6671	3.1652
H4	2.1251	1.1015	2.6671		1.8573
H5	2.1136	1.0981	3.1652	1.8573

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	122.821		C1	C2	H5	121.972
C2	C1	H3	133.151		H4	C2	H5	115.208

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: B2PLYP/STO-3G

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	-0.052
2	C	-0.178
3	H	0.076
4	H	0.077
5	H	0.077

	x	y	z	Total
	-0.374	-0.046	0.000	0.377
CHELPG
AIM
ESP

	x	y	z
x	1.272	-0.270	0.000
y	-0.270	2.521	0.000
z	0.000	0.000	0.415

<r²>	19.753
(<r²>)^1/2	4.444

All results from a given calculation for C2H3 (vinyl)

using model chemistry: B2PLYP/STO-3G

States and conformations

All results from a given calculation for C₂H₃ (vinyl)