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	hartrees
Energy at 0K	-996.601366
Energy at 298.15K	-996.603520
HF Energy	-995.847879
Nuclear repulsion energy	185.446757

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3296	3104	0.76
2	A₁	1701	1602	24.80
3	A₁	1238	1165	0.08
4	A₁	747	704	18.58
5	A₁	172	162	0.33
6	A₂	933	878	0.00
7	A₂	427	402	0.00
8	B₁	737	694	44.66
9	B₂	3274	3083	15.08
10	B₂	1347	1269	26.93
11	B₂	894	841	64.41
12	B₂	588	554	4.07

Atom	y (Å)	z (Å)
C1	0.665	0.979
C2	-0.665	0.979
H3	1.208	1.905
H4	-1.208	1.905
Cl5	1.611	-0.457
Cl6	-1.611	-0.457

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3291	1.0739	2.0893	1.7196	2.6904
C2	1.3291		2.0893	1.0739	2.6904	1.7196
H3	1.0739	2.0893		2.4167	2.3961	3.6777
H4	2.0893	1.0739	2.4167		3.6777	2.3961
Cl5	1.7196	2.6904	2.3961	3.6777		3.2211
Cl6	2.6904	1.7196	3.6777	2.3961	3.2211

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.423	C1	C2	Cl6	123.375
C2	C1	H3	120.423	C2	C1	Cl5	123.375
H3	C1	Cl5	116.202	H4	C2	Cl6	116.202

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

using model chemistry: CCSD=FULL/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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