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	hartrees
Energy at 0K	-997.755300
Energy at 298.15K	-997.757049
HF Energy	-997.755300
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3188	3126	0.00
2	A_g	1617	1585	0.00
3	A_g	1293	1268	0.00
4	A_g	831	814	0.00
5	A_g	344	337	0.00
6	A_u	901	883	64.98
7	A_u	206	202	0.34
8	B_g	737	722	0.00
9	B_u	3185	3123	13.51
10	B_u	1219	1195	19.67
11	B_u	791	776	144.02
12	B_u	235	230	3.41

Atom	x (Å)	y (Å)
C1	-0.369	0.558
C2	0.369	-0.558
H3	-1.457	0.568
H4	1.457	-0.568
Cl5	0.369	2.136
Cl6	-0.369	-2.136

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3381	1.0879	2.1454	1.7417	2.6937
C2	1.3381		2.1454	1.0879	2.6937	1.7417
H3	1.0879	2.1454		3.1277	2.4063	2.9147
H4	2.1454	1.0879	3.1277		2.9147	2.4063
Cl5	1.7417	2.6937	2.4063	2.9147		4.3346
Cl6	2.6937	1.7417	2.9147	2.4063	4.3346

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	122.953	C1	C2	Cl6	120.314
C2	C1	H3	122.953	C2	C1	Cl5	120.314
H3	C1	Cl5	116.734	H4	C2	Cl6	116.734

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

using model chemistry: B97D3/6-31G*

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	-0.222
2	C	-0.222
3	H	0.213
4	H	0.213
5	Cl	0.010
6	Cl	0.010

	x	y	z
x	4.921	0.769	0.000
y	0.769	10.777	0.000
z	0.000	0.000	2.756

<r²>	193.031
(<r²>)^1/2	13.894