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	hartrees
Energy at 0K	-5200.877116
Energy at 298.15K	-5200.884842
HF Energy	-5200.877116
Nuclear repulsion energy	425.160601

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3285	3136	0.11
2	A₁	1703	1626	33.21
3	A₁	1220	1165	1.24
4	A₁	590	563	9.29
5	A₁	113	107	0.01
6	A₂	1011	966	0.00
7	A₂	414	395	0.00
8	B₁	754	720	104.95
9	B₂	3260	3112	14.02
10	B₂	1334	1273	45.80
11	B₂	772	737	65.04
12	B₂	491	469	2.40

Atom	y (Å)	z (Å)
C1	0.659	1.271
C2	-0.659	1.271
Br3	1.766	-0.281
Br4	-1.766	-0.281
H5	1.215	2.197
H6	-1.215	2.197

	C1	C2	Br3	Br4	H5	H6
C1		1.3177	1.9055	2.8783	1.0806	2.0904
C2	1.3177		2.8783	1.9055	2.0904	1.0806
Br3	1.9055	2.8783		3.5314	2.5381	3.8760
Br4	2.8783	1.9055	3.5314		3.8760	2.5381
H5	1.0806	2.0904	2.5381	3.8760		2.4300
H6	2.0904	1.0806	3.8760	2.5381	2.4300

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.511	C1	C2	H6	120.972
C2	C1	Br3	125.511	C2	C1	H5	120.972
Br3	C1	H5	113.516	Br4	C2	H6	113.516

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

using model chemistry: mPW1PW91/3-21G

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	-0.488
2	C	-0.488
3	Br	0.198
4	Br	0.198
5	H	0.290
6	H	0.290

	x	y	z	Total
	0.000	0.000	1.645	1.645
CHELPG
AIM
ESP

<r²>	289.988
(<r²>)^1/2	17.029