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	hartrees
Energy at 0K	-77.892481
Energy at 298.15K	-77.893981
HF Energy	-77.892481
Nuclear repulsion energy	28.454619

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3249	3129	0.88
2	A'	3154	3038	4.55
3	A'	3056	2943	5.11
4	A'	1657	1596	2.13
5	A'	1384	1333	9.54
6	A'	1044	1005	9.13
7	A'	711	685	24.22
8	A"	920	886	82.90
9	A"	830	799	15.82

Atom	x (Å)	y (Å)
C1	0.049	0.719
C2	0.049	-0.586
H3	-0.673	1.525
H4	-0.881	-1.162
H5	0.970	-1.165

	C1	C2	H3	H4	H5
C1		1.3049	1.0811	2.0987	2.0976
C2	1.3049		2.2301	1.0940	1.0886
H3	1.0811	2.2301		2.6948	3.1517
H4	2.0987	1.0940	2.6948		1.8514
H5	2.0976	1.0886	3.1517	1.8514

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	C2	H4	121.801		C1	C2	H5	122.152
C2	C1	H3	138.144		H4	C2	H5	116.047

All results from a given calculation for C₂H₃ (vinyl)

using model chemistry: B3PW91/6-311G**

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	-0.157
2	C	-0.271
3	H	0.144
4	H	0.139
5	H	0.145

	x	y	z	Total
	-0.622	-0.289	0.000	0.686
CHELPG
AIM
ESP

	x	y	z
x	2.654	-0.177	0.000
y	-0.177	4.727	0.000
z	0.000	0.000	1.779

<r²>	20.279
(<r²>)^1/2	4.503

All results from a given calculation for C2H3 (vinyl)

using model chemistry: B3PW91/6-311G**

States and conformations

All results from a given calculation for C₂H₃ (vinyl)