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	hartrees
Energy at 0K	-2649.890243
Energy at 298.15K	-2649.895930
HF Energy	-2649.890243
Nuclear repulsion energy	144.781747

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3396	3085	6.17
2	A'	3381	3072	2.85
3	A'	3299	2998	0.81
4	A'	1802	1637	46.10
5	A'	1523	1384	13.10
6	A'	1392	1265	39.11
7	A'	1112	1010	10.06
8	A'	644	585	30.35
9	A'	373	339	0.11
10	A"	1083	984	53.05
11	A"	1077	979	23.03
12	A"	654	594	19.74

Atom	x (Å)	y (Å)
C1	0.454	-1.118
C2	-0.438	-2.074
Br3	0.000	0.726
H4	1.512	-1.281
H5	-0.114	-3.099
H6	-1.494	-1.883

	C1	C2	Br3	H4	H5	H6
C1		1.3073	1.8992	1.0705	2.0610	2.0920
C2	1.3073		2.8346	2.1047	1.0751	1.0731
Br3	1.8992	2.8346		2.5126	3.8274	3.0062
H4	1.0705	2.1047	2.5126		2.4391	3.0649
H5	2.0610	1.0751	3.8274	2.4391		1.8397
H6	2.0920	1.0731	3.0062	3.0649	1.8397

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.474	C1	C2	H6	122.698
C2	C1	Br3	123.195	C2	C1	H4	124.240
Br3	C1	H4	112.565	H5	C2	H6	117.828

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

using model chemistry: HF/TZVP

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	-0.050
2	C	-0.223
3	Br	-0.137
4	H	0.160
5	H	0.115
6	H	0.134

	x	y	z	Total
	0.235	-1.807	0.000	1.823
CHELPG
AIM
ESP

	x	y	z
x	5.076	0.729	0.000
y	0.729	8.615	0.000
z	0.000	0.000	3.533

<r²>	92.175
(<r²>)^1/2	9.601

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

using model chemistry: HF/TZVP

States and conformations

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