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	hartrees
Energy at 0K	-2647.688445
Energy at 298.15K	-2647.694042
HF Energy	-2647.339292
Nuclear repulsion energy	144.414630

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3356	3100	3.31
2	A'	3331	3077	4.40
3	A'	3262	3013	0.30
4	A'	1755	1621	32.35
5	A'	1478	1365	8.75
6	A'	1342	1240	30.02
7	A'	1072	990	8.36
8	A'	629	581	21.86
9	A'	363	335	0.09
10	A"	1021	943	45.75
11	A"	981	906	22.16
12	A"	622	575	12.57

Atom	x (Å)	y (Å)
C1	0.463	-1.115
C2	-0.445	-2.077
Br3	0.000	0.726
H4	1.529	-1.283
H5	-0.131	-3.113
H6	-1.506	-1.874

	C1	C2	Br3	H4	H5	H6
C1		1.3220	1.8988	1.0794	2.0836	2.1100
C2	1.3220		2.8382	2.1273	1.0824	1.0808
Br3	1.8988	2.8382		2.5247	3.8412	3.0051
H4	1.0794	2.1273	2.5247		2.4703	3.0923
H5	2.0836	1.0824	3.8412	2.4703		1.8512
H6	2.1100	1.0808	3.0051	3.0923	1.8512

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.796	C1	C2	H6	122.522
C2	C1	Br3	122.561	C2	C1	H4	124.409
Br3	C1	H4	113.030	H5	C2	H6	117.683

All results from a given calculation for C₂H₃Br (vinyl bromide)

using model chemistry: CID/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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All results from a given calculation for C2H3Br (vinyl bromide)

using model chemistry: CID/6-31G*

States and conformations

All results from a given calculation for C₂H₃Br (vinyl bromide)