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	hartrees
Energy at 0K	-5225.908916
Energy at 298.15K	-5225.916590
HF Energy	-5225.908916
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3249	3108	0.04
2	A₁	1671	1598	31.88
3	A₁	1203	1151	1.72
4	A₁	604	578	7.17
5	A₁	110	105	0.05
6	A₂	932	891	0.00
7	A₂	393	376	0.00
8	B₁	696	666	57.62
9	B₂	3226	3086	16.91
10	B₂	1309	1252	46.46
11	B₂	777	744	60.16
12	B₂	485	464	2.27

Atom	y (Å)	z (Å)
C1	0.660	1.241
C2	-0.660	1.241
Br3	1.759	-0.275
Br4	-1.759	-0.275
H5	1.203	2.174
H6	-1.203	2.174

	C1	C2	Br3	Br4	H5	H6
C1		1.3197	1.8728	2.8548	1.0794	2.0836
C2	1.3197		2.8548	1.8728	2.0836	1.0794
Br3	1.8728	2.8548		3.5180	2.5110	3.8435
Br4	2.8548	1.8728	3.5180		3.8435	2.5110
H5	1.0794	2.0836	2.5110	3.8435		2.4070
H6	2.0836	1.0794	3.8435	2.5110	2.4070

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.939	C1	C2	H6	120.242
C2	C1	Br3	125.939	C2	C1	H5	120.242
Br3	C1	H5	113.819	Br4	C2	H6	113.819

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

using model chemistry: wB97X-D/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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Number	Element	Mulliken
1	C	-0.412
2	C	-0.412
3	Br	0.079
4	Br	0.079
5	H	0.334
6	H	0.334

	x	y	z	Total
	0.000	0.000	1.685	1.685
CHELPG
AIM
ESP

<r²>	287.407
(<r²>)^1/2	16.953