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	hartrees
Energy at 0K	-77.355574
Energy at 298.15K	-77.357223
HF Energy	-77.355574
Nuclear repulsion energy	28.568928

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3435	3075	2.48
2	A'	3386	3031	11.85
3	A'	3298	2952	4.72
4	A'	1802	1614	3.00
5	A'	1552	1390	6.36
6	A'	1233	1104	9.12
7	A'	855	766	15.99
8	A"	1101	986	85.11
9	A"	995	891	39.90

Atom	x (Å)	y (Å)
C1	0.050	0.722
C2	0.050	-0.586
H3	-0.695	1.490
H4	-0.864	-1.156
H5	0.964	-1.151

	C1	C2	H3	H4	H5
C1		1.3087	1.0697	2.0891	2.0842
C2	1.3087		2.2062	1.0771	1.0741
H3	1.0697	2.2062		2.6519	3.1188
H4	2.0891	1.0771	2.6519		1.8280
H5	2.0842	1.0741	3.1188	1.8280

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.934		C1	C2	H5	121.700
C2	C1	H3	135.886		H4	C2	H5	116.365

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: ROHF/6-31G

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	-0.136
2	C	-0.403
3	H	0.183
4	H	0.175
5	H	0.181

	x	y	z	Total
	-0.619	-0.190	0.000	0.648
CHELPG
AIM
ESP

<r²>	20.222
(<r²>)^1/2	4.497

All results from a given calculation for C2H3 (vinyl)

using model chemistry: ROHF/6-31G

States and conformations

All results from a given calculation for C₂H₃ (vinyl)