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	hartrees
Energy at 0K	-77.414941
Energy at 298.15K	-77.416568
HF Energy	-77.414941
Nuclear repulsion energy	28.705742

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3381	3381	0.68
2	A'	3337	3337	6.06
3	A'	3252	3252	4.98
4	A'	1775	1775	2.83
5	A'	1509	1509	7.37
6	A'	1201	1201	7.87
7	A'	827	827	12.52
8	A"	1057	1057	72.16
9	A"	966	966	31.27

Atom	x (Å)	y (Å)
C1	0.051	0.717
C2	0.051	-0.582
H3	-0.704	1.476
H4	-0.870	-1.141
H5	0.966	-1.146

	C1	C2	H3	H4	H5
C1		1.2987	1.0702	2.0739	2.0752
C2	1.2987		2.1917	1.0777	1.0747
H3	1.0702	2.1917		2.6224	3.1080
H4	2.0739	1.0777	2.6224		1.8361
H5	2.0752	1.0747	3.1080	1.8361

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.265		C1	C2	H5	121.648
C2	C1	H3	135.178		H4	C2	H5	117.088

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: ROHF/Def2TZVPP

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	-0.124
2	C	-0.129
3	H	0.101
4	H	0.074
5	H	0.078

	x	y	z	Total
	-0.605	-0.255	0.000	0.656
CHELPG
AIM
ESP

<r²>	20.201
(<r²>)^1/2	4.495

All results from a given calculation for C2H3 (vinyl)

using model chemistry: ROHF/Def2TZVPP

States and conformations

All results from a given calculation for C₂H₃ (vinyl)