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	hartrees
Energy at 0K	-5196.978189
Energy at 298.15K	-5196.986036
HF Energy	-5196.978189
Nuclear repulsion energy	430.988407

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3415	3083	1.21
2	A₁	1793	1618	24.67
3	A₁	1324	1195	2.65
4	A₁	631	569	9.18
5	A₁	121	109	0.04
6	A₂	1109	1001	0.00
7	A₂	426	385	0.00
8	B₁	803	725	82.38
9	B₂	3388	3058	14.58
10	B₂	1451	1310	47.02
11	B₂	828	747	54.40
12	B₂	510	461	2.71

Atom	y (Å)	z (Å)
C1	0.655	1.264
C2	-0.655	1.264
Br3	1.736	-0.279
Br4	-1.736	-0.279
H5	1.211	2.178
H6	-1.211	2.178

	C1	C2	Br3	Br4	H5	H6
C1		1.3105	1.8838	2.8456	1.0693	2.0778
C2	1.3105		2.8456	1.8838	2.0778	1.0693
Br3	1.8838	2.8456		3.4711	2.5122	3.8364
Br4	2.8456	1.8838	3.4711		3.8364	2.5122
H5	1.0693	2.0778	2.5122	3.8364		2.4219
H6	2.0778	1.0693	3.8364	2.5122	2.4219

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	124.993	C1	C2	H6	121.312
C2	C1	Br3	124.993	C2	C1	H5	121.312
Br3	C1	H5	113.695	Br4	C2	H6	113.695

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

using model chemistry: HF/3-21G*

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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Number	Element	Mulliken
1	C	-0.269
2	C	-0.269
3	Br	-0.015
4	Br	-0.015
5	H	0.284
6	H	0.284

	x	y	z	Total
	0.000	0.000	1.861	1.861
CHELPG
AIM
ESP

<r²>	282.276
(<r²>)^1/2	16.801