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	hartrees
Energy at 0K	-996.343733
Energy at 298.15K	-996.345617
HF Energy	-995.829485
Nuclear repulsion energy	175.482616

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3294	3106	0.00
2	A_g	1674	1579	0.00
3	A_g	1346	1269	0.00
4	A_g	898	847	0.00
5	A_g	362	341	0.00
6	A_u	952	898	67.52
7	A_u	220	207	0.51
8	B_g	779	734	0.00
9	B_u	3290	3102	14.34
10	B_u	1280	1207	17.45
11	B_u	872	822	108.39
12	B_u	246	232	3.75

Atom	x (Å)	y (Å)
C1	-0.374	0.553
C2	0.374	-0.553
H3	-1.454	0.531
H4	1.454	-0.531
Cl5	0.374	2.106
Cl6	-0.374	-2.106

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3354	1.0798	2.1253	1.7240	2.6586
C2	1.3354		2.1253	1.0798	2.6586	1.7240
H3	1.0798	2.1253		3.0955	2.4132	2.8489
H4	2.1253	1.0798	3.0955		2.8489	2.4132
Cl5	1.7240	2.6586	2.4132	2.8489		4.2776
Cl6	2.6586	1.7240	2.8489	2.4132	4.2776

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	122.930	C1	C2	Cl6	120.153
C2	C1	H3	122.930	C2	C1	Cl5	120.153
H3	C1	Cl5	116.916	H4	C2	Cl6	116.916

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

using model chemistry: MP2/6-31G*

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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