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	hartrees
Energy at 0K	-2650.517657
Energy at 298.15K	-2650.523240
HF Energy	-2649.943533
Nuclear repulsion energy	145.002284

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3281	3064	2.01
2	A'	3250	3035	4.23
3	A'	3184	2973	0.14
4	A'	1691	1579	36.69
5	A'	1432	1337	9.71
6	A'	1307	1220	23.45
7	A'	1040	971	6.55
8	A'	636	594	18.08
9	A'	351	327	0.03
10	A"	998	932	35.22
11	A"	956	893	26.51
12	A"	607	567	13.77

Atom	x (Å)	y (Å)
C1	0.458	-1.104
C2	-0.442	-2.075
Br3	0.000	0.724
H4	1.522	-1.277
H5	-0.113	-3.104
H6	-1.503	-1.876

	C1	C2	Br3	H4	H5	H6
C1		1.3243	1.8837	1.0781	2.0807	2.1079
C2	1.3243		2.8331	2.1203	1.0809	1.0795
Br3	1.8837	2.8331		2.5136	3.8296	3.0030
H4	1.0781	2.1203	2.5136		2.4524	3.0842
H5	2.0807	1.0809	3.8296	2.4524		1.8551
H6	2.1079	1.0795	3.0030	3.0842	1.8551

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.445	C1	C2	H6	122.217
C2	C1	Br3	123.100	C2	C1	H4	123.585
Br3	C1	H4	113.314	H5	C2	H6	118.338

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

using model chemistry: CCD/cc-pVTZ

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: CCD/cc-pVTZ

States and conformations

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