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	hartrees
Energy at 0K	-77.797207
Energy at 298.15K	-77.798655
HF Energy	-77.797207
Nuclear repulsion energy	28.176820

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3194	3157	0.81
2	A'	3098	3063	3.11
3	A'	2992	2958	5.36
4	A'	1619	1600	2.30
5	A'	1347	1331	7.69
6	A'	1010	999	7.26
7	A'	688	680	25.91
8	A"	880	870	98.64
9	A"	774	766	12.44

Atom	x (Å)	y (Å)
C1	0.049	0.727
C2	0.049	-0.592
H3	-0.675	1.542
H4	-0.888	-1.177
H5	0.978	-1.177

	C1	C2	H3	H4	H5
C1		1.3185	1.0903	2.1214	2.1182
C2	1.3185		2.2532	1.1042	1.0978
H3	1.0903	2.2532		2.7270	3.1818
H4	2.1214	1.1042	2.7270		1.8653
H5	2.1182	1.0978	3.1818	1.8653

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.993		C1	C2	H5	122.208
C2	C1	H3	138.388		H4	C2	H5	115.800

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: PBEPBEultrafine/6-31+G**

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	-0.176
2	C	-0.333
3	H	0.165
4	H	0.168
5	H	0.175

	x	y	z	Total
	-0.707	-0.370	0.000	0.798
CHELPG
AIM
ESP

	x	y	z
x	2.924	-0.034	0.000
y	-0.034	5.260	0.000
z	0.000	0.000	2.518

<r²>	20.811
(<r²>)^1/2	4.562

All results from a given calculation for C2H3 (vinyl)

using model chemistry: PBEPBEultrafine/6-31+G**

States and conformations

All results from a given calculation for C₂H₃ (vinyl)