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	hartrees
Energy at 0K	-5220.227558
Energy at 298.15K	-5220.235140
HF Energy	-5220.227558
Nuclear repulsion energy	433.359088

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3157	3124	0.45
2	A₁	1587	1570	28.86
3	A₁	1139	1127	0.85
4	A₁	603	596	7.53
5	A₁	107	106	0.04
6	A₂	846	837	0.00
7	A₂	382	378	0.00
8	B₁	667	661	48.32
9	B₂	3135	3103	12.15
10	B₂	1235	1222	32.04
11	B₂	767	759	55.94
12	B₂	474	469	1.79

Atom	y (Å)	z (Å)
C1	0.670	1.250
C2	-0.670	1.250
Br3	1.726	-0.277
Br4	-1.726	-0.277
H5	1.227	2.188
H6	-1.227	2.188

	C1	C2	Br3	Br4	H5	H6
C1		1.3393	1.8566	2.8408	1.0913	2.1161
C2	1.3393		2.8408	1.8566	2.1161	1.0913
Br3	1.8566	2.8408		3.4519	2.5149	3.8467
Br4	2.8408	1.8566	3.4519		3.8467	2.5149
H5	1.0913	2.1161	2.5149	3.8467		2.4543
H6	2.1161	1.0913	3.8467	2.5149	2.4543

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	124.678	C1	C2	H6	120.719
C2	C1	Br3	124.678	C2	C1	H5	120.719
Br3	C1	H5	114.603	Br4	C2	H6	114.603

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

using model chemistry: PBEPBEultrafine/6-31G(2df,p)

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	-0.238
2	C	-0.238
3	Br	0.083
4	Br	0.083
5	H	0.155
6	H	0.155

	x	y	z	Total
	0.000	0.000	1.563	1.563
CHELPG
AIM
ESP

<r²>	279.543
(<r²>)^1/2	16.720