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	hartrees
Energy at 0K	-997.767081
Energy at 298.15K	-997.769051
Nuclear repulsion energy	181.361971

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3149	3143	1.05
2	A₁	1581	1578	41.69
3	A₁	1163	1161	0.05
4	A₁	669	668	19.38
5	A₁	158	157	0.22
6	A₂	844	843	0.00
7	A₂	400	399	0.00
8	B₁	681	679	54.67
9	B₂	3129	3123	13.98
10	B₂	1260	1257	28.72
11	B₂	805	803	85.28
12	B₂	547	546	8.97

Atom	y (Å)	z (Å)
C1	0.672	0.974
C2	-0.672	0.974
H3	1.233	1.915
H4	-1.233	1.915
Cl5	1.688	-0.456
Cl6	-1.688	-0.456

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3450	1.0957	2.1255	1.7538	2.7598
C2	1.3450		2.1255	1.0957	2.7598	1.7538
H3	1.0957	2.1255		2.4664	2.4144	3.7625
H4	2.1255	1.0957	2.4664		3.7625	2.4144
Cl5	1.7538	2.7598	2.4144	3.7625		3.3761
Cl6	2.7598	1.7538	3.7625	2.4144	3.3761

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.780	C1	C2	Cl6	125.385
C2	C1	H3	120.780	C2	C1	Cl5	125.385
H3	C1	Cl5	113.835	H4	C2	Cl6	113.835

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

using model chemistry: BLYP/aug-cc-pVDZ

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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Number	Element	Mulliken
1	C	0.686
2	C	0.686
3	H	-0.588
4	H	-0.588
5	Cl	-0.098
6	Cl	-0.098

	x	y	z	Total
	0.000	0.000	1.867	1.867
CHELPG
AIM
ESP

<r²>	154.150
(<r²>)^1/2	12.416