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	hartrees
Energy at 0K	-996.393859
Energy at 298.15K
HF Energy	-995.833525
Nuclear repulsion energy	175.400362

Atom	x (Å)	y (Å)
C1	-0.372	0.548
C2	0.372	-0.548
H3	-1.447	0.524
H4	1.447	-0.524
Cl5	0.372	2.106
Cl6	-0.372	-2.106

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3260	1.0744	2.1116	1.7266	2.6545
C2	1.3260		2.1116	1.0744	2.6545	1.7266
H3	1.0744	2.1116		3.0771	2.4108	2.8409
H4	2.1116	1.0744	3.0771		2.8409	2.4108
Cl5	1.7266	2.6545	2.4108	2.8409		4.2775
Cl6	2.6545	1.7266	2.8409	2.4108	4.2775

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	122.876	C1	C2	Cl6	120.255
C2	C1	H3	122.876	C2	C1	Cl5	120.255
H3	C1	Cl5	116.869	H4	C2	Cl6	116.869

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

using model chemistry: MP3/6-31+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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