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	hartrees
Energy at 0K	-77.892392
Energy at 298.15K	-77.893896
HF Energy	-77.892392
Nuclear repulsion energy	28.095049

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3257	3131	0.99
2	A'	3193	3070	13.51
3	A'	3081	2962	6.35
4	A'	1622	1559	4.18
5	A'	1413	1358	11.14
6	A'	1058	1017	8.14
7	A'	713	686	30.06
8	A"	957	920	115.41
9	A"	836	804	29.53

Atom	x (Å)	y (Å)
C1	0.047	0.732
C2	0.047	-0.598
H3	-0.665	1.552
H4	-0.878	-1.185
H5	0.975	-1.172

	C1	C2	H3	H4	H5
C1		1.3297	1.0862	2.1287	2.1175
C2	1.3297		2.2649	1.0961	1.0908
H3	1.0862	2.2649		2.7458	3.1793
H4	2.1287	1.0961	2.7458		1.8531
H5	2.1175	1.0908	3.1793	1.8531

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	122.399		C1	C2	H5	121.743
C2	C1	H3	139.056		H4	C2	H5	115.858

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: B3LYP/SDD

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	-0.202
2	C	-0.445
3	H	0.218
4	H	0.213
5	H	0.216

	x	y	z	Total
	-0.772	-0.362	0.000	0.853
CHELPG
AIM
ESP

	x	y	z
x	2.185	-0.122	0.001
y	-0.122	4.588	0.003
z	0.001	0.003	1.336

<r²>	20.622
(<r²>)^1/2	4.541

All results from a given calculation for C2H3 (vinyl)

using model chemistry: B3LYP/SDD

States and conformations

All results from a given calculation for C₂H₃ (vinyl)