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	hartrees
Energy at 0K	-77.418698
Energy at 298.15K	-77.420283
HF Energy	-77.418698
Nuclear repulsion energy	28.404596

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3387	3078	0.65
2	A'	3328	3024	7.95
3	A'	3232	2937	6.81
4	A'	1616	1468	3.63
5	A'	1404	1276	4.02
6	A'	1178	1070	7.01
7	A'	817	742	13.26
8	A"	969	880	77.62
9	A"	895	813	11.35

Atom	x (Å)	y (Å)
C1	0.051	0.729
C2	0.051	-0.592
H3	-0.705	1.487
H4	-0.870	-1.157
H5	0.968	-1.154

	C1	C2	H3	H4	H5
C1		1.3204	1.0707	2.0981	2.0945
C2	1.3204		2.2121	1.0800	1.0762
H3	1.0707	2.2121		2.6492	3.1267
H4	2.0981	1.0800	2.6492		1.8380
H5	2.0945	1.0762	3.1267	1.8380

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.543		C1	C2	H5	121.505
C2	C1	H3	135.114		H4	C2	H5	116.951

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: HF/TZVP

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	-0.105
2	C	-0.239
3	H	0.118
4	H	0.109
5	H	0.117

	x	y	z	Total
	-0.594	-0.270	0.000	0.652
CHELPG
AIM
ESP

	x	y	z
x	2.606	-0.179	0.000
y	-0.179	4.562	0.000
z	0.000	0.000	2.157

<r²>	20.485
(<r²>)^1/2	4.526

All results from a given calculation for C2H3 (vinyl)

using model chemistry: HF/TZVP

States and conformations

All results from a given calculation for C₂H₃ (vinyl)