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	hartrees
Energy at 0K	-77.936109
Energy at 298.15K	-77.937612
HF Energy	-77.936109
Nuclear repulsion energy	28.531870

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3238	3130	0.63
2	A'	3136	3032	3.80
3	A'	3041	2940	5.22
4	A'	1653	1598	2.02
5	A'	1396	1349	8.56
6	A'	1050	1015	8.99
7	A'	711	687	23.36
8	A"	928	897	69.20
9	A"	822	794	19.49

Atom	x (Å)	y (Å)
C1	0.048	0.717
C2	0.048	-0.584
H3	-0.664	1.526
H4	-0.879	-1.160
H5	0.966	-1.164

	C1	C2	H3	H4	H5
C1		1.3011	1.0779	2.0937	2.0931
C2	1.3011		2.2270	1.0914	1.0858
H3	1.0779	2.2270		2.6948	3.1455
H4	2.0937	1.0914	2.6948		1.8447
H5	2.0931	1.0858	3.1455	1.8447

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.875		C1	C2	H5	122.291
C2	C1	H3	138.628		H4	C2	H5	115.835

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: B3LYPultrafine/cc-pVTZ

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	-0.230
3	H	0.144
4	H	0.118
5	H	0.130

	x	y	z	Total
	-0.601	-0.305	0.000	0.674
CHELPG
AIM
ESP

	x	y	z
x	2.989	-0.152	0.000
y	-0.152	4.940	0.000
z	0.000	0.000	2.241

<r²>	20.354
(<r²>)^1/2	4.512

All results from a given calculation for C2H3 (vinyl)

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₃ (vinyl)