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	hartrees
Energy at 0K	-996.012025
Energy at 298.15K	-996.013875
HF Energy	-995.732727
Nuclear repulsion energy	176.863861

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3257	3144	9.67
2	A₁	1597	1541	21.98
3	A₁	1216	1173	0.06
4	A₁	627	605	15.48
5	A₁	156	151	0.38
6	A₂	798	770	0.00
7	A₂	353	341	0.00
8	B₁	686	662	85.80
9	B₂	3228	3116	8.17
10	B₂	1332	1286	22.36
11	B₂	791	763	48.56
12	B₂	527	509	7.64

Atom	y (Å)	z (Å)
C1	0.679	1.019
C2	-0.679	1.019
H3	1.251	1.948
H4	-1.251	1.948
Cl5	1.722	-0.474
Cl6	-1.722	-0.474

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3578	1.0910	2.1416	1.8213	2.8274
C2	1.3578		2.1416	1.0910	2.8274	1.8213
H3	1.0910	2.1416		2.5014	2.4674	3.8346
H4	2.1416	1.0910	2.5014		3.8346	2.4674
Cl5	1.8213	2.8274	2.4674	3.8346		3.4446
Cl6	2.8274	1.8213	3.8346	2.4674	3.4446

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	121.611	C1	C2	Cl6	124.953
C2	C1	H3	121.611	C2	C1	Cl5	124.953
H3	C1	Cl5	113.436	H4	C2	Cl6	113.436

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

using model chemistry: MP2/SDD

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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