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	hartrees
Energy at 0K	-997.860826
Energy at 298.15K	-997.862597
HF Energy	-997.860826
Nuclear repulsion energy	174.871335

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3168	3124	0.00
2	A_g	1594	1572	0.00
3	A_g	1275	1257	0.00
4	A_g	821	810	0.00
5	A_g	343	338	0.00
6	A_u	899	887	56.27
7	A_u	205	202	0.20
8	B_g	760	749	0.00
9	B_u	3165	3121	13.47
10	B_u	1195	1179	19.57
11	B_u	785	774	139.11
12	B_u	232	229	3.17

Atom	x (Å)	y (Å)
C1	-0.367	0.555
C2	0.367	-0.555
H3	-1.450	0.564
H4	1.450	-0.564
Cl5	0.367	2.128
Cl6	-0.367	-2.128

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3306	1.0832	2.1336	1.7357	2.6831
C2	1.3306		2.1336	1.0832	2.6831	1.7357
H3	1.0832	2.1336		3.1114	2.3974	2.9016
H4	2.1336	1.0832	3.1114		2.9016	2.3974
Cl5	1.7357	2.6831	2.3974	2.9016		4.3189
Cl6	2.6831	1.7357	2.9016	2.3974	4.3189

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	122.872	C1	C2	Cl6	120.236
C2	C1	H3	122.872	C2	C1	Cl5	120.236
H3	C1	Cl5	116.892	H4	C2	Cl6	116.892

All results from a given calculation for CHClCHCl (Ethene, 1,2-dichloro-, (E)-)

using model chemistry: B97D3/cc-pVTZ

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	-0.065
2	C	-0.065
3	H	0.138
4	H	0.138
5	Cl	-0.073
6	Cl	-0.073

	x	y	z
x	5.919	0.742	0.000
y	0.742	11.848	0.000
z	0.000	0.000	4.123

<r²>	191.906
(<r²>)^1/2	13.853