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	hartrees
Energy at 0K	-5200.278257
Energy at 298.15K	-5200.285974
HF Energy	-5200.278257
Nuclear repulsion energy	434.520457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3261	3130	0.31
2	A₁	1658	1592	31.11
3	A₁	1215	1167	0.84
4	A₁	631	606	8.38
5	A₁	114	109	0.01
6	A₂	958	920	0.00
7	A₂	402	386	0.00
8	B₁	722	693	85.76
9	B₂	3235	3106	13.90
10	B₂	1337	1284	27.95
11	B₂	796	764	57.66
12	B₂	493	473	1.35

Atom	y (Å)	z (Å)
C1	0.664	1.277
C2	-0.664	1.277
Br3	1.707	-0.282
Br4	-1.707	-0.282
H5	1.233	2.197
H6	-1.233	2.197

	C1	C2	Br3	Br4	H5	H6
C1		1.3271	1.8752	2.8367	1.0829	2.1086
C2	1.3271		2.8367	1.8752	2.1086	1.0829
Br3	1.8752	2.8367		3.4138	2.5238	3.8458
Br4	2.8367	1.8752	3.4138		3.8458	2.5238
H5	1.0829	2.1086	2.5238	3.8458		2.4667
H6	2.1086	1.0829	3.8458	2.5238	2.4667

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	123.806	C1	C2	H6	121.747
C2	C1	Br3	123.806	C2	C1	H5	121.747
Br3	C1	H5	114.447	Br4	C2	H6	114.447

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

using model chemistry: HSEh1PBE/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	-0.280
2	C	-0.280
3	Br	0.010
4	Br	0.010
5	H	0.270
6	H	0.270

	x	y	z	Total
	0.000	0.000	1.494	1.494
CHELPG
AIM
ESP

<r²>	275.772
(<r²>)^1/2	16.606