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	hartrees
Energy at 0K	-5201.646890
Energy at 298.15K	-5201.654618
HF Energy	-5201.646890
Nuclear repulsion energy	435.911561

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3272	3130	0.40
2	A₁	1664	1592	30.78
3	A₁	1213	1160	0.92
4	A₁	631	603	8.66
5	A₁	117	112	0.01
6	A₂	961	919	0.00
7	A₂	399	382	0.00
8	B₁	721	690	84.09
9	B₂	3247	3106	13.71
10	B₂	1336	1278	28.47
11	B₂	795	761	56.45
12	B₂	495	473	1.25

Atom	y (Å)	z (Å)
C1	0.662	1.276
C2	-0.662	1.276
Br3	1.699	-0.282
Br4	-1.699	-0.282
H5	1.232	2.194
H6	-1.232	2.194

	C1	C2	Br3	Br4	H5	H6
C1		1.3248	1.8715	2.8292	1.0802	2.1051
C2	1.3248		2.8292	1.8715	2.1051	1.0802
Br3	1.8715	2.8292		3.3984	2.5193	3.8369
Br4	2.8292	1.8715	3.3984		3.8369	2.5193
H5	1.0802	2.1051	2.5193	3.8369		2.4643
H6	2.1051	1.0802	3.8369	2.5193	2.4643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	123.643	C1	C2	H6	121.835
C2	C1	Br3	123.643	C2	C1	H5	121.835
Br3	C1	H5	114.522	Br4	C2	H6	114.522

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

using model chemistry: B1B95/3-21G

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	-0.273
2	C	-0.273
3	Br	0.007
4	Br	0.007
5	H	0.266
6	H	0.266

	x	y	z	Total
	0.000	0.000	1.494	1.494
CHELPG
AIM
ESP

<r²>	273.769
(<r²>)^1/2	16.546