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	hartrees
Energy at 0K	-997.787364
Energy at 298.15K	-997.789439
Nuclear repulsion energy	183.254051

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3240	3119	1.29
2	A₁	1657	1595	43.63
3	A₁	1224	1178	0.01
4	A₁	708	681	23.09
5	A₁	166	160	0.24
6	A₂	899	866	0.00
7	A₂	419	403	0.00
8	B₁	713	686	68.45
9	B₂	3220	3100	15.02
10	B₂	1323	1273	29.86
11	B₂	852	821	94.96
12	B₂	573	551	7.08

Atom	y (Å)	z (Å)
C1	0.667	0.962
C2	-0.667	0.962
H3	1.216	1.896
H4	-1.216	1.896
Cl5	1.672	-0.451
Cl6	-1.672	-0.451

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3330	1.0837	2.1012	1.7339	2.7321
C2	1.3330		2.1012	1.0837	2.7321	1.7339
H3	1.0837	2.1012		2.4312	2.3907	3.7210
H4	2.1012	1.0837	2.4312		3.7210	2.3907
Cl5	1.7339	2.7321	2.3907	3.7210		3.3444
Cl6	2.7321	1.7339	3.7210	2.3907	3.3444

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	120.446	C1	C2	Cl6	125.452
C2	C1	H3	120.446	C2	C1	Cl5	125.452
H3	C1	Cl5	114.102	H4	C2	Cl6	114.102

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

using model chemistry: B3LYPultrafine/6-31+G**

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	-0.222
2	C	-0.222
3	H	0.188
4	H	0.188
5	Cl	0.035
6	Cl	0.035

	x	y	z	Total
	0.000	0.000	2.017	2.017
CHELPG
AIM
ESP

	x	y	z
x	4.316	0.000	0.000
y	0.000	9.641	-0.005
z	0.000	-0.005	6.948

<r²>	151.435
(<r²>)^1/2	12.306