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	hartrees
Energy at 0K	-5200.302395
Energy at 298.15K	-5200.310121
HF Energy	-5200.302395
Nuclear repulsion energy	434.918530

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3261	3132	0.26
2	A₁	1658	1593	30.69
3	A₁	1214	1166	0.81
4	A₁	633	608	8.35
5	A₁	113	109	0.01
6	A₂	958	920	0.00
7	A₂	401	385	0.00
8	B₁	722	693	86.46
9	B₂	3236	3108	14.06
10	B₂	1336	1283	27.68
11	B₂	798	766	57.12
12	B₂	494	474	1.28

Atom	y (Å)	z (Å)
C1	0.664	1.276
C2	-0.664	1.276
Br3	1.705	-0.282
Br4	-1.705	-0.282
H5	1.234	2.197
H6	-1.234	2.197

	C1	C2	Br3	Br4	H5	H6
C1		1.3279	1.8734	2.8349	1.0831	2.1094
C2	1.3279		2.8349	1.8734	2.1094	1.0831
Br3	1.8734	2.8349		3.4094	2.5232	3.8444
Br4	2.8349	1.8734	3.4094		3.8444	2.5232
H5	1.0831	2.1094	2.5232	3.8444		2.4675
H6	2.1094	1.0831	3.8444	2.5232	2.4675

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	123.748	C1	C2	H6	121.742
C2	C1	Br3	123.748	C2	C1	H5	121.742
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: PBE1PBE/3-21G

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	-0.284
2	C	-0.284
3	Br	0.011
4	Br	0.011
5	H	0.273
6	H	0.273

	x	y	z	Total
	0.000	0.000	1.505	1.505
CHELPG
AIM
ESP

<r²>	275.232
(<r²>)^1/2	16.590