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	hartrees
Energy at 0K	-5171.056379
Energy at 298.15K	-5171.063851
HF Energy	-5171.056379
Nuclear repulsion energy	422.219773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3365	3365	0.59
2	A₁	1705	1705	21.76
3	A₁	1250	1250	0.05
4	A₁	649	649	8.95
5	A₁	109	109	0.08
6	A₂	914	914	0.00
7	A₂	379	379	0.00
8	B₁	695	695	22.46
9	B₂	3341	3341	32.95
10	B₂	1393	1393	53.70
11	B₂	839	839	35.51
12	B₂	513	513	3.55

Atom	y (Å)	z (Å)
C1	0.678	1.252
C2	-0.678	1.252
Br3	1.789	-0.278
Br4	-1.789	-0.278
H5	1.217	2.218
H6	-1.217	2.218

	C1	C2	Br3	Br4	H5	H6
C1		1.3552	1.8911	2.9026	1.1063	2.1263
C2	1.3552		2.9026	1.8911	2.1263	1.1063
Br3	1.8911	2.9026		3.5780	2.5610	3.9069
Br4	2.9026	1.8911	3.5780		3.9069	2.5610
H5	1.1063	2.1263	2.5610	3.9069		2.4330
H6	2.1263	1.1063	3.9069	2.5610	2.4330

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	125.994	C1	C2	H6	119.153
C2	C1	Br3	125.994	C2	C1	H5	119.153
Br3	C1	H5	114.853	Br4	C2	H6	114.853

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

using model chemistry: B97D3/STO-3G

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	-0.144
2	C	-0.144
3	Br	0.046
4	Br	0.046
5	H	0.097
6	H	0.097

	x	y	z	Total
	0.000	0.000	1.341	1.341
CHELPG
AIM
ESP

<r²>	293.617
(<r²>)^1/2	17.135