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	hartrees
Energy at 0K	-991.307217
Energy at 298.15K	-991.308944
HF Energy	-991.019543
Nuclear repulsion energy	168.577245

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3310	3161	0.00
2	A_g	1653	1578	0.00
3	A_g	1323	1264	0.00
4	A_g	766	731	0.00
5	A_g	322	307	0.00
6	A_u	973	929	99.46
7	A_u	204	195	1.26
8	B_g	822	785	0.00
9	B_u	3305	3155	8.83
10	B_u	1249	1193	24.72
11	B_u	720	687	82.62
12	B_u	224	214	5.09

Atom	x (Å)	y (Å)
C1	0.000	0.662
C2	0.000	-0.662
H3	0.870	1.300
H4	-0.870	-1.300
Cl5	-1.598	1.578
Cl6	1.598	-1.578

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3244	1.0789	2.1468	1.8421	2.7518
C2	1.3244		2.1468	1.0789	2.7518	1.8421
H3	1.0789	2.1468		3.1291	2.4839	2.9690
H4	2.1468	1.0789	3.1291		2.9690	2.4839
Cl5	1.8421	2.7518	2.4839	2.9690		4.4920
Cl6	2.7518	1.8421	2.9690	2.4839	4.4920

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	126.269	C1	C2	Cl6	119.803
C2	C1	H3	126.269	C2	C1	Cl5	119.803
H3	C1	Cl5	113.927	H4	C2	Cl6	113.927

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

using model chemistry: MP2=FULL/3-21G

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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