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	hartrees
Energy at 0K	-77.889608
Energy at 298.15K	-77.891112
HF Energy	-77.889608
Nuclear repulsion energy	28.326263

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3274	3137	0.48
2	A'	3198	3064	2.87
3	A'	3091	2963	3.78
4	A'	1666	1597	2.12
5	A'	1381	1323	9.22
6	A'	1047	1004	8.24
7	A'	711	682	19.63
8	A"	935	896	73.49
9	A"	820	785	18.49

Atom	x (Å)	y (Å)
C1	0.049	0.723
C2	0.049	-0.589
H3	-0.681	1.528
H4	-0.887	-1.162
H5	0.974	-1.170

	C1	C2	H3	H4	H5
C1		1.3117	1.0866	2.1044	2.1066
C2	1.3117		2.2390	1.0977	1.0923
H3	1.0866	2.2390		2.6974	3.1648
H4	2.1044	1.0977	2.6974		1.8613
H5	2.1066	1.0923	3.1648	1.8613

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.458		C1	C2	H5	122.137
C2	C1	H3	137.792		H4	C2	H5	116.406

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: mPW1PW91/aug-cc-pVDZ

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	0.166
2	C	0.643
3	H	-0.352
4	H	-0.262
5	H	-0.195

	x	y	z	Total
	-0.614	-0.318	0.000	0.692
CHELPG
AIM
ESP

	x	y	z
x	3.449	-0.077	0.000
y	-0.077	5.211	0.000
z	0.000	0.000	3.160

<r²>	20.544
(<r²>)^1/2	4.533

All results from a given calculation for C2H3 (vinyl)

using model chemistry: mPW1PW91/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₃ (vinyl)