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	hartrees
Energy at 0K	-996.398691
Energy at 298.15K	-996.400575
HF Energy	-995.835815
Nuclear repulsion energy	175.652788

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3313	3111	0.00
2	A_g	1667	1566	0.00
3	A_g	1346	1264	0.00
4	A_g	897	842	0.00
5	A_g	361	339	0.00
6	A_u	950	892	70.36
7	A_u	213	200	0.12
8	B_g	775	728	0.00
9	B_u	3310	3109	14.83
10	B_u	1279	1201	20.96
11	B_u	870	817	112.59
12	B_u	245	230	3.13

Atom	x (Å)	y (Å)
C1	0.000	0.668
C2	0.000	-0.668
H3	0.902	1.259
H4	-0.902	-1.259
Cl5	-1.466	1.572
Cl6	1.466	-1.572

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3354	1.0789	2.1278	1.7224	2.6768
C2	1.3354		2.1278	1.0789	2.6768	1.7224
H3	1.0789	2.1278		3.0983	2.3885	2.8870
H4	2.1278	1.0789	3.0983		2.8870	2.3885
Cl5	1.7224	2.6768	2.3885	2.8870		4.2988
Cl6	2.6768	1.7224	2.8870	2.3885	4.2988

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	123.260	C1	C2	Cl6	121.671
C2	C1	H3	123.260	C2	C1	Cl5	121.671
H3	C1	Cl5	115.069	H4	C2	Cl6	115.069

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

using model chemistry: MP2=FULL/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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