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	hartrees
Energy at 0K	-992.862894
Energy at 298.15K	-992.864758
Nuclear repulsion energy	178.262880

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3192	3174	0.01
2	A₁	1612	1603	27.72
3	A₁	1176	1170	0.03
4	A₁	601	597	24.81
5	A₁	157	156	0.24
6	A₂	870	865	0.00
7	A₂	381	379	0.00
8	B₁	697	693	84.02
9	B₂	3167	3149	14.51
10	B₂	1272	1265	27.74
11	B₂	744	740	71.89
12	B₂	502	499	12.77

Atom	y (Å)	z (Å)
C1	0.664	1.042
C2	-0.664	1.042
H3	1.265	1.948
H4	-1.265	1.948
Cl5	1.683	-0.482
Cl6	-1.683	-0.482

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3285	1.0871	2.1316	1.8334	2.7987
C2	1.3285		2.1316	1.0871	2.7987	1.8334
H3	1.0871	2.1316		2.5305	2.4658	3.8207
H4	2.1316	1.0871	2.5305		3.8207	2.4658
Cl5	1.8334	2.7987	2.4658	3.8207		3.3659
Cl6	2.7987	1.8334	3.8207	2.4658	3.3659

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	123.564	C1	C2	Cl6	123.756
C2	C1	H3	123.564	C2	C1	Cl5	123.756
H3	C1	Cl5	112.680	H4	C2	Cl6	112.680

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	-0.344
2	C	-0.344
3	H	0.252
4	H	0.252
5	Cl	0.092
6	Cl	0.092

	x	y	z	Total
	0.000	0.000	2.553	2.553
CHELPG
AIM
ESP

<r²>	156.108
(<r²>)^1/2	12.494