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	hartrees
Energy at 0K	-2650.522753
Energy at 298.15K	-2650.528324
HF Energy	-2649.943426
Nuclear repulsion energy	144.825153

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3273	3127	2.31
2	A'	3243	3099	4.46
3	A'	3177	3035	0.25
4	A'	1676	1602	36.35
5	A'	1426	1363	10.16
6	A'	1302	1244	23.94
7	A'	1035	989	6.79
8	A'	630	602	19.22
9	A'	349	333	0.02
10	A"	991	947	37.07
11	A"	947	905	23.98
12	A"	603	576	13.88

Atom	x (Å)	y (Å)
C1	0.460	-1.106
C2	-0.444	-2.078
Br3	0.000	0.725
H4	1.526	-1.271
H5	-0.118	-3.109
H6	-1.506	-1.881

	C1	C2	Br3	H4	H5	H6
C1		1.3264	1.8880	1.0784	2.0847	2.1129
C2	1.3264		2.8371	2.1282	1.0818	1.0802
Br3	1.8880	2.8371		2.5119	3.8359	3.0098
H4	1.0784	2.1282	2.5119		2.4666	3.0925
H5	2.0847	1.0818	3.8359	2.4666		1.8528
H6	2.1129	1.0802	3.0098	3.0925	1.8528

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.571	C1	C2	H6	122.468
C2	C1	Br3	122.965	C2	C1	H4	124.176
Br3	C1	H4	112.859	H5	C2	H6	117.960

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

using model chemistry: QCISD/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: QCISD/cc-pVTZ

States and conformations

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