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	hartrees
Energy at 0K	-2650.536757
Energy at 298.15K	-2650.542324
HF Energy	-2649.944327
Nuclear repulsion energy	144.902353

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3268	3145	1.99
2	A'	3240	3118	3.83
3	A'	3172	3053	0.19
4	A'	1671	1609	39.21
5	A'	1419	1366	10.06
6	A'	1298	1249	23.50
7	A'	1031	993	6.40
8	A'	629	606	19.41
9	A'	348	335	0.03
10	A"	986	949	31.16
11	A"	942	907	25.27
12	A"	604	581	15.43

Atom	x (Å)	y (Å)
C1	0.461	-1.106
C2	-0.444	-2.076
Br3	0.000	0.724
H4	1.527	-1.269
H5	-0.120	-3.108
H6	-1.506	-1.877

	C1	C2	Br3	H4	H5	H6
C1		1.3263	1.8866	1.0789	2.0850	2.1128
C2	1.3263		2.8345	2.1299	1.0822	1.0808
Br3	1.8866	2.8345		2.5106	3.8340	3.0055
H4	1.0789	2.1299	2.5106		2.4692	3.0939
H5	2.0850	1.0822	3.8340	2.4692		1.8541
H6	2.1128	1.0808	3.0055	3.0939	1.8541

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	119.581	C1	C2	H6	122.408
C2	C1	Br3	122.866	C2	C1	H4	124.308
Br3	C1	H4	112.827	H5	C2	H6	118.010

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

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

States and conformations

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