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	hartrees
Energy at 0K	-2650.657878
Energy at 298.15K	-2650.663427
HF Energy	-2649.834660
Nuclear repulsion energy	144.571847

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3301	3126	1.80
2	A'	3254	3082	5.33
3	A'	3195	3026	0.04
4	A'	1657	1569	40.28
5	A'	1427	1352	10.45
6	A'	1310	1241	21.10
7	A'	1045	990	11.76
8	A'	636	602	19.70
9	A'	355	336	0.03
10	A"	978	927	48.48
11	A"	887	840	33.85
12	A"	595	563	16.64

Atom	x (Å)	y (Å)
C1	0.461	-1.104
C2	-0.446	-2.081
Br3	0.000	0.725
H4	1.531	-1.276
H5	-0.113	-3.114
H6	-1.511	-1.884

	C1	C2	Br3	H4	H5	H6
C1		1.3329	1.8869	1.0832	2.0898	2.1202
C2	1.3329		2.8419	2.1339	1.0845	1.0831
Br3	1.8869	2.8419		2.5196	3.8407	3.0151
H4	1.0832	2.1339	2.5196		2.4655	3.1012
H5	2.0898	1.0845	3.8407	2.4655		1.8614
H6	2.1202	1.0831	3.0151	3.1012	1.8614

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.296	C1	C2	H6	122.359
C2	C1	Br3	123.002	C2	C1	H4	123.733
Br3	C1	H4	113.266	H5	C2	H6	118.345

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

using model chemistry: MP2=FULL/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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All results from a given calculation for C2H3Br (vinyl bromide)

using model chemistry: MP2=FULL/6-311G*

States and conformations

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