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	hartrees
Energy at 0K	-5224.592280
Energy at 298.15K	-5224.586390
HF Energy	-5225.135633
Nuclear repulsion energy	386.729762

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3236	3123	0.00
2	A_g	1640	1582	0.00
3	A_g	1297	1252	0.00
4	A_g	775	748	0.00
5	A_g	225	217	0.00
6	A_u	949	916	40.49
7	A_u	175	169	0.10
8	B_g	785	758	0.00
9	B_u	3233	3120	12.71
10	B_u	1200	1158	33.33
11	B_u	715	690	72.62
12	B_u	198	191	1.81

Atom	x (Å)	y (Å)
C1	-0.377	0.545
C2	0.377	-0.545
Br3	0.377	2.256
Br4	-0.377	-2.256
H5	-1.458	0.530
H6	1.458	-0.530

	C1	C2	Br3	Br4	H5	H6
C1		1.3251	1.8695	2.8013	1.0814	2.1264
C2	1.3251		2.8013	1.8695	2.1264	1.0814
Br3	1.8695	2.8013		4.5749	2.5186	2.9890
Br4	2.8013	1.8695	4.5749		2.9890	2.5186
H5	1.0814	2.1264	2.5186	2.9890		3.1025
H6	2.1264	1.0814	2.9890	2.5186	3.1025

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	121.350	C1	C2	H6	124.905
C2	C1	Br3	121.350	C2	C1	H5	124.905
Br3	C1	H5	113.745	Br4	C2	H6	113.745

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

using model chemistry: G4

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	-0.195
2	C	-0.195
3	Br	0.038
4	Br	0.038
5	H	0.157
6	H	0.157

<r²>	406.308
(<r²>)^1/2	20.157