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	hartrees
Energy at 0K	-2638.837608
Energy at 298.15K	-2638.843131
Nuclear repulsion energy	142.026088

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3194	3165	3.51
2	A'	3169	3141	2.30
3	A'	3098	3069	0.02
4	A'	1636	1621	54.53
5	A'	1423	1410	9.42
6	A'	1272	1260	29.52
7	A'	1028	1019	10.95
8	A'	588	583	22.84
9	A'	343	340	0.28
10	A"	974	965	55.87
11	A"	929	921	41.03
12	A"	607	601	20.21

Atom	x (Å)	y (Å)
C1	0.461	-1.140
C2	-0.444	-2.117
Br3	0.000	0.741
H4	1.539	-1.304
H5	-0.121	-3.162
H6	-1.517	-1.916

	C1	C2	Br3	H4	H5	H6
C1		1.3314	1.9366	1.0902	2.1042	2.1248
C2	1.3314		2.8918	2.1431	1.0944	1.0919
Br3	1.9366	2.8918		2.5587	3.9050	3.0593
H4	1.0902	2.1431	2.5587		2.4920	3.1168
H5	2.1042	1.0944	3.9050	2.4920		1.8719
H6	2.1248	1.0919	3.0593	3.1168	1.8719

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	120.007	C1	C2	H6	122.212
C2	C1	Br3	123.412	C2	C1	H4	124.204
Br3	C1	H4	112.384	H5	C2	H6	117.781

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

using model chemistry: PBEPBE/3-21G

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	-0.479
2	C	-0.361
3	Br	0.141
4	H	0.256
5	H	0.220
6	H	0.223

	x	y	z	Total
	0.207	-1.272	0.000	1.288
CHELPG
AIM
ESP

	x	y	z
x	3.879	0.396	0.000
y	0.396	7.912	0.000
z	0.000	0.000	1.430

<r²>	94.725
(<r²>)^1/2	9.733

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

using model chemistry: PBEPBE/3-21G

States and conformations

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