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	hartrees
Energy at 0K	-996.874374
Energy at 298.15K	-996.876286
Nuclear repulsion energy	176.843328

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3287	3117	0.00
2	A_g	1652	1566	0.00
3	A_g	1310	1242	0.00
4	A_g	886	840	0.00
5	A_g	362	343	0.00
6	A_u	960	910	57.35
7	A_u	221	210	0.20
8	B_g	819	777	0.00
9	B_u	3280	3110	15.71
10	B_u	1234	1170	20.20
11	B_u	870	825	107.36
12	B_u	239	227	3.22

Atom	x (Å)	y (Å)
C1	-0.364	0.554
C2	0.364	-0.554
H3	-1.437	0.547
H4	1.437	-0.547
Cl5	0.364	2.103
Cl6	-0.364	-2.103

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3266	1.0728	2.1115	1.7114	2.6573
C2	1.3266		2.1115	1.0728	2.6573	1.7114
H3	1.0728	2.1115		3.0756	2.3799	2.8593
H4	2.1115	1.0728	3.0756		2.8593	2.3799
Cl5	1.7114	2.6573	2.3799	2.8593		4.2685
Cl6	2.6573	1.7114	2.8593	2.3799	4.2685

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	122.941	C1	C2	Cl6	121.499
C2	C1	H3	122.941	C2	C1	Cl5	121.499
H3	C1	Cl5	115.560	H4	C2	Cl6	115.560

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

using model chemistry: MP2=FULL/cc-pV(T+d)Z

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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