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	hartrees
Energy at 0K	-997.888026
Energy at 298.15K	-997.890114
HF Energy	-997.888026
Nuclear repulsion energy	184.217295

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3219	3114	0.62
2	A₁	1646	1592	37.75
3	A₁	1213	1174	0.03
4	A₁	704	681	19.16
5	A₁	165	160	0.25
6	A₂	910	881	0.00
7	A₂	422	408	0.00
8	B₁	713	689	53.83
9	B₂	3198	3094	14.92
10	B₂	1318	1275	28.19
11	B₂	845	817	81.51
12	B₂	571	552	7.57

Atom	y (Å)	z (Å)
C1	0.662	0.957
C2	-0.662	0.957
H3	1.209	1.887
H4	-1.209	1.887
Cl5	1.665	-0.449
Cl6	-1.665	-0.449

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3244	1.0793	2.0897	1.7266	2.7187
C2	1.3244		2.0897	1.0793	2.7187	1.7266
H3	1.0793	2.0897		2.4177	2.3803	3.7036
H4	2.0897	1.0793	2.4177		3.7036	2.3803
Cl5	1.7266	2.7187	2.3803	3.7036		3.3300
Cl6	2.7187	1.7266	3.7036	2.3803	3.3300

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.428	C1	C2	Cl6	125.505
C2	C1	H3	120.428	C2	C1	Cl5	125.505
H3	C1	Cl5	114.067	H4	C2	Cl6	114.067

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

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

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	-0.225
2	C	-0.225
3	H	0.347
4	H	0.347
5	Cl	-0.122
6	Cl	-0.122

	x	y	z	Total
	0.000	0.000	1.878	1.878
CHELPG
AIM
ESP

<r²>	149.846
(<r²>)^1/2	12.241