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	hartrees
Energy at 0K	-5217.202543
Energy at 298.15K	-5217.210185
HF Energy	-5216.679632
Nuclear repulsion energy	426.836454

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3333	3101	0.53
2	A₁	1693	1576	26.77
3	A₁	1231	1146	2.18
4	A₁	587	547	7.79
5	A₁	107	100	0.06
6	A₂	914	850	0.00
7	A₂	392	364	0.00
8	B₁	712	662	66.19
9	B₂	3311	3081	15.75
10	B₂	1341	1247	48.93
11	B₂	764	711	57.36
12	B₂	480	447	2.11

Atom	y (Å)	z (Å)
C1	0.665	1.251
C2	-0.665	1.251
Br3	1.765	-0.277
Br4	-1.765	-0.277
H5	1.211	2.180
H6	-1.211	2.180

	C1	C2	Br3	Br4	H5	H6
C1		1.3301	1.8826	2.8707	1.0779	2.0938
C2	1.3301		2.8707	1.8826	2.0938	1.0779
Br3	1.8826	2.8707		3.5309	2.5185	3.8596
Br4	2.8707	1.8826	3.5309		3.8596	2.5185
H5	1.0779	2.0938	2.5185	3.8596		2.4225
H6	2.0938	1.0779	3.8596	2.5185	2.4225

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.768	C1	C2	H6	120.446
C2	C1	Br3	125.768	C2	C1	H5	120.446
Br3	C1	H5	113.785	Br4	C2	H6	113.785

All results from a given calculation for CHBrCHBr (Ethene, 1,2-dibromo-, (Z)-)

using model chemistry: MP3/6-31+G**

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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