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	hartrees
Energy at 0K	-2649.899668
Energy at 298.15K	-2649.905355
HF Energy	-2649.899668
Nuclear repulsion energy	145.203848

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3390	3073	5.55
2	A'	3374	3058	3.16
3	A'	3295	2987	1.00
4	A'	1800	1631	44.71
5	A'	1521	1379	12.48
6	A'	1391	1260	33.90
7	A'	1110	1006	7.87
8	A'	651	590	27.82
9	A'	373	338	0.05
10	A"	1081	980	13.28
11	A"	1080	979	56.41
12	A"	655	594	17.74

Atom	x (Å)	y (Å)
C1	0.453	-1.111
C2	-0.437	-2.067
Br3	0.000	0.723
H4	1.510	-1.276
H5	-0.115	-3.091
H6	-1.492	-1.873

	C1	C2	Br3	H4	H5	H6
C1		1.3068	1.8895	1.0692	2.0601	2.0891
C2	1.3068		2.8244	2.1017	1.0738	1.0718
Br3	1.8895	2.8244		2.5056	3.8162	2.9945
H4	1.0692	2.1017	2.5056		2.4357	3.0602
H5	2.0601	1.0738	3.8162	2.4357		1.8383
H6	2.0891	1.0718	2.9945	3.0602	1.8383

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.525	C1	C2	H6	122.561
C2	C1	Br3	123.134	C2	C1	H4	124.086
Br3	C1	H4	112.780	H5	C2	H6	117.914

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

using model chemistry: HF/Def2TZVPP

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	-0.036
2	C	-0.154
3	Br	-0.079
4	H	0.101
5	H	0.082
6	H	0.087

	x	y	z	Total
	0.238	-1.742	0.000	1.758
CHELPG
AIM
ESP

	x	y	z
x	5.629	0.721	0.000
y	0.721	8.933	0.000
z	0.000	0.000	4.304

<r²>	91.769
(<r²>)^1/2	9.580

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

using model chemistry: HF/Def2TZVPP

States and conformations

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