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	hartrees
Energy at 0K	-996.373592
Energy at 298.15K	-996.375483
HF Energy	-995.829577
Nuclear repulsion energy	175.648901

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3295	3105	0.00
2	A_g	1677	1580	0.00
3	A_g	1346	1269	0.00
4	A_g	898	847	0.00
5	A_g	363	342	0.00
6	A_u	955	900	67.51
7	A_u	221	208	0.50
8	B_g	784	739	0.00
9	B_u	3292	3101	14.37
10	B_u	1281	1207	17.23
11	B_u	873	822	107.83
12	B_u	247	232	3.71

Atom	x (Å)	y (Å)
C1	0.000	0.667
C2	0.000	-0.667
H3	0.904	1.264
H4	-0.904	-1.264
Cl5	-1.469	1.568
Cl6	1.469	-1.568

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3336	1.0830	2.1315	1.7233	2.6743
C2	1.3336		2.1315	1.0830	2.6743	1.7233
H3	1.0830	2.1315		3.1071	2.3920	2.8875
H4	2.1315	1.0830	3.1071		2.8875	2.3920
Cl5	1.7233	2.6743	2.3920	2.8875		4.2971
Cl6	2.6743	1.7233	2.8875	2.3920	4.2971

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	123.440	C1	C2	Cl6	121.534
C2	C1	H3	123.440	C2	C1	Cl5	121.534
H3	C1	Cl5	115.026	H4	C2	Cl6	115.026

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

using model chemistry: MP2=FULL/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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