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	hartrees
Energy at 0K	-996.389562
Energy at 298.15K	-996.391462
HF Energy	-995.833267
Nuclear repulsion energy	175.769061

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3322	3104	0.00
2	A_g	1681	1571	0.00
3	A_g	1348	1260	0.00
4	A_g	899	840	0.00
5	A_g	362	338	0.00
6	A_u	963	900	61.96
7	A_u	220	206	0.48
8	B_g	784	733	0.00
9	B_u	3318	3101	14.50
10	B_u	1280	1196	20.35
11	B_u	875	817	106.44
12	B_u	246	229	3.61

Atom	x (Å)	y (Å)
C1	0.000	0.667
C2	0.000	-0.667
H3	0.902	1.257
H4	-0.902	-1.257
Cl5	-1.466	1.570
Cl6	1.466	-1.570

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3334	1.0782	2.1250	1.7218	2.6744
C2	1.3334		2.1250	1.0782	2.6744	1.7218
H3	1.0782	2.1250		3.0949	2.3880	2.8836
H4	2.1250	1.0782	3.0949		2.8836	2.3880
Cl5	1.7218	2.6744	2.3880	2.8836		4.2961
Cl6	2.6744	1.7218	2.8836	2.3880	4.2961

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	123.227	C1	C2	Cl6	121.662
C2	C1	H3	123.227	C2	C1	Cl5	121.662
H3	C1	Cl5	115.111	H4	C2	Cl6	115.111

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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