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	hartrees
Energy at 0K	-996.367104
Energy at 298.15K
HF Energy	-995.835724
Nuclear repulsion energy	175.482103

Atom	x (Å)	y (Å)
C1	-0.366	0.559
C2	0.366	-0.559
H3	-1.446	0.561
H4	1.446	-0.561
Cl5	0.366	2.120
Cl6	-0.366	-2.120

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3369	1.0798	2.1305	1.7242	2.6791
C2	1.3369		2.1305	1.0798	2.6791	1.7242
H3	1.0798	2.1305		3.1020	2.3906	2.8901
H4	2.1305	1.0798	3.1020		2.8901	2.3906
Cl5	1.7242	2.6791	2.3906	2.8901		4.3027
Cl6	2.6791	1.7242	2.8901	2.3906	4.3027

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	123.319	C1	C2	Cl6	121.630
C2	C1	H3	123.319	C2	C1	Cl5	121.630
H3	C1	Cl5	115.051	H4	C2	Cl6	115.051

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

using model chemistry: MP2/6-31+G**

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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