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	hartrees
Energy at 0K	-996.572329
Energy at 298.15K	-996.574204
HF Energy	-995.892408
Nuclear repulsion energy	175.643717

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3264	3091	0.00
2	A_g	1656	1568	0.00
3	A_g	1332	1262	0.00
4	A_g	892	845	0.00
5	A_g	361	342	0.00
6	A_u	936	886	80.71
7	A_u	216	205	0.13
8	B_g	756	716	0.00
9	B_u	3261	3089	14.84
10	B_u	1267	1200	16.48
11	B_u	869	823	115.39
12	B_u	244	232	3.11

Atom	x (Å)	y (Å)
C1	0.000	0.667
C2	0.000	-0.667
H3	0.904	1.263
H4	-0.904	-1.263
Cl5	-1.469	1.568
Cl6	1.469	-1.568

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3338	1.0827	2.1312	1.7234	2.6744
C2	1.3338		2.1312	1.0827	2.6744	1.7234
H3	1.0827	2.1312		3.1063	2.3922	2.8871
H4	2.1312	1.0827	3.1063		2.8871	2.3922
Cl5	1.7234	2.6744	2.3922	2.8871		4.2973
Cl6	2.6744	1.7234	2.8871	2.3922	4.2973

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	123.424	C1	C2	Cl6	121.521
C2	C1	H3	123.424	C2	C1	Cl5	121.521
H3	C1	Cl5	115.055	H4	C2	Cl6	115.055

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

using model chemistry: MP2=FULL/6-311G*

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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