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	hartrees
Energy at 0K	-2621.339790
Energy at 298.15K	-2621.345224
HF Energy	-2621.165419
Nuclear repulsion energy	142.512771

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3507	3507	0.06
2	A'	3406	3406	1.58
3	A'	3362	3362	9.01
4	A'	1739	1739	7.87
5	A'	1522	1522	15.14
6	A'	1384	1384	14.56
7	A'	1103	1103	2.53
8	A'	697	697	6.95
9	A'	356	356	0.44
10	A"	1039	1039	8.18
11	A"	940	940	8.30
12	A"	595	595	0.72

Atom	x (Å)	y (Å)
C1	0.463	-1.109
C2	-0.446	-2.118
Br3	0.000	0.737
H4	1.552	-1.319
H5	-0.116	-3.174
H6	-1.537	-1.935

	C1	C2	Br3	H4	H5	H6
C1		1.3576	1.9029	1.1097	2.1447	2.1635
C2	1.3576		2.8892	2.1521	1.1064	1.1062
Br3	1.9029	2.8892		2.5758	3.9125	3.0824
H4	1.1097	2.1521	2.5758		2.4955	3.1502
H5	2.1447	1.1064	3.9125	2.4955		1.8849
H6	2.1635	1.1062	3.0824	3.1502	1.8849

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	120.666	C1	C2	H6	122.505
C2	C1	Br3	123.917	C2	C1	H4	121.120
Br3	C1	H4	114.963	H5	C2	H6	116.828

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

using model chemistry: QCISD/STO-3G

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/STO-3G

States and conformations

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