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	hartrees
Energy at 0K	-5220.794596
Energy at 298.15K	-5220.801857
HF Energy	-5220.794596
Nuclear repulsion energy	385.645661

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3260	3130	0.00
2	A_g	1646	1581	0.00
3	A_g	1291	1240	0.00
4	A_g	746	717	0.00
5	A_g	218	209	0.00
6	A_u	940	903	53.56
7	A_u	170	164	0.06
8	B_g	760	730	0.00
9	B_u	3256	3126	11.79
10	B_u	1193	1146	40.66
11	B_u	670	644	83.40
12	B_u	196	188	1.67

Atom	x (Å)	y (Å)
C1	-0.382	0.542
C2	0.382	-0.542
Br3	0.382	2.284
Br4	-0.382	-2.284
H5	-1.464	0.532
H6	1.464	-0.532

	C1	C2	Br3	Br4	H5	H6
C1		1.3265	1.9024	2.8259	1.0822	2.1362
C2	1.3265		2.8259	1.9024	2.1362	1.0822
Br3	1.9024	2.8259		4.6314	2.5459	3.0163
Br4	2.8259	1.9024	4.6314		3.0163	2.5459
H5	1.0822	2.1362	2.5459	3.0163		3.1159
H6	2.1362	1.0822	3.0163	2.5459	3.1159

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	121.102	C1	C2	H6	124.648
C2	C1	Br3	121.102	C2	C1	H5	124.648
Br3	C1	H5	114.250	Br4	C2	H6	114.250

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

using model chemistry: B3LYP/6-31G*

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	-0.125
2	C	-0.125
3	Br	-0.078
4	Br	-0.078
5	H	0.203
6	H	0.203

	x	y	z
x	6.304	1.024	0.000
y	1.024	14.015	0.000
z	0.000	0.000	4.374

<r²>	415.469
(<r²>)^1/2	20.383