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	hartrees
Energy at 0K	-5224.788721
Energy at 298.15K	-5224.795945
HF Energy	-5224.788721
Nuclear repulsion energy	386.460867

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3154	3128	0.00
2	A_g	1574	1562	0.00
3	A_g	1232	1222	0.00
4	A_g	734	728	0.00
5	A_g	215	213	0.00
6	A_u	888	880	48.90
7	A_u	165	164	0.00
8	B_g	727	721	0.00
9	B_u	3151	3125	13.54
10	B_u	1136	1127	34.25
11	B_u	677	671	83.26
12	B_u	190	188	1.30

Atom	x (Å)	y (Å)
C1	-0.381	0.545
C2	0.381	-0.545
Br3	0.381	2.279
Br4	-0.381	-2.279
H5	-1.468	0.541
H6	1.468	-0.541

	C1	C2	Br3	Br4	H5	H6
C1		1.3297	1.8941	2.8241	1.0872	2.1443
C2	1.3297		2.8241	1.8941	2.1443	1.0872
Br3	1.8941	2.8241		4.6214	2.5375	3.0226
Br4	2.8241	1.8941	4.6214		3.0226	2.5375
H5	1.0872	2.1443	2.5375	3.0226		3.1292
H6	2.1443	1.0872	3.0226	2.5375	3.1292

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	121.337	C1	C2	H6	124.752
C2	C1	Br3	121.337	C2	C1	H5	124.752
Br3	C1	H5	113.911	Br4	C2	H6	113.911

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

using model chemistry: PBEPBE/6-311+G(3df,2p)

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	-0.084
2	C	-0.084
3	Br	-0.055
4	Br	-0.055
5	H	0.139
6	H	0.139

	x	y	z
x	8.639	1.081	0.000
y	1.081	16.947	0.000
z	0.000	0.000	7.438

<r²>	414.475
(<r²>)^1/2	20.359