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	hartrees
Energy at 0K	-996.415594
Energy at 298.15K	-996.417461
HF Energy	-995.878333
Nuclear repulsion energy	174.670225

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3270	3115	0.00
2	A_g	1651	1573	0.00
3	A_g	1298	1236	0.00
4	A_g	881	839	0.00
5	A_g	359	342	0.00
6	A_u	934	890	60.06
7	A_u	217	207	0.30
8	B_g	766	729	0.00
9	B_u	3266	3111	13.16
10	B_u	1217	1160	19.84
11	B_u	864	823	108.20
12	B_u	239	228	3.36

Atom	x (Å)	y (Å)
C1	0.000	0.672
C2	0.000	-0.672
H3	0.915	1.270
H4	-0.915	-1.270
Cl5	-1.481	1.571
Cl6	1.481	-1.571

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3447	1.0928	2.1473	1.7322	2.6879
C2	1.3447		2.1473	1.0928	2.6879	1.7322
H3	1.0928	2.1473		3.1309	2.4144	2.8970
H4	2.1473	1.0928	3.1309		2.8970	2.4144
Cl5	1.7322	2.6879	2.4144	2.8970		4.3176
Cl6	2.6879	1.7322	2.8970	2.4144	4.3176

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	123.183	C1	C2	Cl6	121.236
C2	C1	H3	123.183	C2	C1	Cl5	121.236
H3	C1	Cl5	115.581	H4	C2	Cl6	115.581

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

using model chemistry: MP2/cc-pVDZ

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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