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	hartrees
Energy at 0K	-76.905861
Energy at 298.15K	-76.907354
HF Energy	-76.905861
Nuclear repulsion energy	28.183658

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3492	3090	1.31
2	A'	3463	3065	4.67
3	A'	3347	2962	18.94
4	A'	1773	1569	4.21
5	A'	1527	1351	3.08
6	A'	1173	1038	6.71
7	A'	798	707	9.09
8	A"	990	876	37.39
9	A"	915	809	0.03

Atom	x (Å)	y (Å)
C1	0.053	0.731
C2	0.053	-0.587
H3	-0.746	1.487
H4	-0.872	-1.186
H5	0.985	-1.168

	C1	C2	H3	H4	H5
C1		1.3179	1.0997	2.1284	2.1159
C2	1.3179		2.2225	1.1021	1.0988
H3	1.0997	2.2225		2.6762	3.1699
H4	2.1284	1.1021	2.6762		1.8575
H5	2.1159	1.0988	3.1699	1.8575

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	122.921		C1	C2	H5	121.955
C2	C1	H3	133.450		H4	C2	H5	115.124

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: B3PW91/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	-0.063
2	C	-0.197
3	H	0.086
4	H	0.087
5	H	0.088

	x	y	z	Total
	-0.395	-0.070	0.000	0.401
CHELPG
AIM
ESP

	x	y	z
x	1.271	-0.261	0.000
y	-0.261	2.514	0.000
z	0.000	0.000	0.429

<r²>	19.744
(<r²>)^1/2	4.443

All results from a given calculation for C2H3 (vinyl)

using model chemistry: B3PW91/STO-3G

States and conformations

All results from a given calculation for C₂H₃ (vinyl)