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	hartrees
Energy at 0K	-5220.900540
Energy at 298.15K	-5220.908189
HF Energy	-5220.900540
Nuclear repulsion energy	435.077426

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3228	3115	1.03
2	A₁	1629	1572	28.39
3	A₁	1176	1135	1.11
4	A₁	617	595	8.27
5	A₁	108	105	0.05
6	A₂	893	862	0.00
7	A₂	389	375	0.00
8	B₁	698	674	49.97
9	B₂	3205	3093	10.98
10	B₂	1282	1237	37.16
11	B₂	786	758	55.08
12	B₂	482	465	2.01

Atom	y (Å)	z (Å)
C1	0.666	1.249
C2	-0.666	1.249
Br3	1.718	-0.276
Br4	-1.718	-0.276
H5	1.222	2.178
H6	-1.222	2.178

	C1	C2	Br3	Br4	H5	H6
C1		1.3315	1.8528	2.8296	1.0829	2.1039
C2	1.3315		2.8296	1.8528	2.1039	1.0829
Br3	1.8528	2.8296		3.4352	2.5041	3.8295
Br4	2.8296	1.8528	3.4352		3.8295	2.5041
H5	1.0829	2.1039	2.5041	3.8295		2.4437
H6	2.1039	1.0829	3.8295	2.5041	2.4437

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	124.590	C1	C2	H6	120.900
C2	C1	Br3	124.590	C2	C1	H5	120.900
Br3	C1	H5	114.510	Br4	C2	H6	114.510

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

using model chemistry: TPSSh/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	-0.247
2	C	-0.247
3	Br	0.072
4	Br	0.072
5	H	0.176
6	H	0.176

	x	y	z	Total
	0.000	0.000	1.696	1.696
CHELPG
AIM
ESP

<r²>	277.282
(<r²>)^1/2	16.652