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	hartrees
Energy at 0K	-996.504462
Energy at 298.15K	-996.506344
HF Energy	-995.848155
Nuclear repulsion energy	175.969970

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3292	3109	0.00
2	A_g	1646	1555	0.00
3	A_g	1312	1239	0.00
4	A_g	880	831	0.00
5	A_g	360	340	0.00
6	A_u	950	897	49.16
7	A_u	219	207	0.56
8	B_g	791	748	0.00
9	B_u	3288	3106	19.62
10	B_u	1230	1161	19.07
11	B_u	867	819	109.75
12	B_u	240	226	3.76

Atom	x (Å)	y (Å)
C1	0.000	0.666
C2	0.000	-0.666
H3	0.899	1.267
H4	-0.899	-1.267
Cl5	-1.477	1.552
Cl6	1.477	-1.552

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3324	1.0806	2.1314	1.7223	2.6651
C2	1.3324		2.1314	1.0806	2.6651	1.7223
H3	1.0806	2.1314		3.1057	2.3926	2.8775
H4	2.1314	1.0806	3.1057		2.8775	2.3926
Cl5	1.7223	2.6651	2.3926	2.8775		4.2852
Cl6	2.6651	1.7223	2.8775	2.3926	4.2852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	123.747	C1	C2	Cl6	120.960
C2	C1	H3	123.747	C2	C1	Cl5	120.960
H3	C1	Cl5	115.292	H4	C2	Cl6	115.292

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

using model chemistry: MP2/6-31G(2df,p)

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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