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	hartrees
Energy at 0K	-77.351254
Energy at 298.15K	-77.352810
HF Energy	-77.297290
Nuclear repulsion energy	28.407802

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3280	3280	2.23
2	A'	3191	3191	5.45
3	A'	3095	3095	3.01
4	A'	1687	1687	2.50
5	A'	1480	1480	7.31
6	A'	1124	1124	9.44
7	A'	772	772	22.68
8	A"	972	972	84.50
9	A"	869	869	17.64

Atom	x (Å)	y (Å)
C1	0.049	0.724
C2	0.049	-0.587
H3	-0.688	1.511
H4	-0.872	-1.172
H5	0.969	-1.164

	C1	C2	H3	H4	H5
C1		1.3106	1.0790	2.1079	2.1004
C2	1.3106		2.2239	1.0917	1.0863
H3	1.0790	2.2239		2.6896	3.1475
H4	2.1079	1.0917	2.6896		1.8415
H5	2.1004	1.0863	3.1475	1.8415

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	122.419		C1	C2	H5	122.126
C2	C1	H3	136.871		H4	C2	H5	115.456

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: B2PLYP/3-21G*

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	-0.162
2	C	-0.457
3	H	0.205
4	H	0.203
5	H	0.211

	x	y	z	Total
	-0.612	-0.263	0.000	0.666
CHELPG
AIM
ESP

	x	y	z
x	2.220	-0.259	0.000
y	-0.259	4.148	0.000
z	0.000	0.000	0.941

<r²>	20.327
(<r²>)^1/2	4.509

All results from a given calculation for C2H3 (vinyl)

using model chemistry: B2PLYP/3-21G*

States and conformations

All results from a given calculation for C₂H₃ (vinyl)