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	hartrees
Energy at 0K	-997.857725
Energy at 298.15K	-997.859552
HF Energy	-997.857725
Nuclear repulsion energy	174.244007

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3232	3120	0.00
2	A_g	1650	1593	0.00
3	A_g	1307	1262	0.00
4	A_g	839	810	0.00
5	A_g	348	335	0.00
6	A_u	935	903	67.10
7	A_u	212	205	0.22
8	B_g	796	768	0.00
9	B_u	3230	3118	13.25
10	B_u	1226	1184	19.69
11	B_u	797	769	140.29
12	B_u	237	229	3.65

Atom	x (Å)	y (Å)
C1	-0.366	0.550
C2	0.366	-0.550
H3	-1.446	0.562
H4	1.446	-0.562
Cl5	0.366	2.138
Cl6	-0.366	-2.138

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3214	1.0795	2.1262	1.7494	2.6883
C2	1.3214		2.1262	1.0795	2.6883	1.7494
H3	1.0795	2.1262		3.1026	2.4015	2.9086
H4	2.1262	1.0795	3.1026		2.9086	2.4015
Cl5	1.7494	2.6883	2.4015	2.9086		4.3391
Cl6	2.6883	1.7494	2.9086	2.4015	4.3391

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	124.346	C1	C2	Cl6	121.566
C2	C1	H3	124.346	C2	C1	Cl5	121.566
H3	C1	Cl5	114.088	H4	C2	Cl6	114.088

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

using model chemistry: B3LYP/TZVP

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	-0.126
2	C	-0.126
3	H	0.190
4	H	0.190
5	Cl	-0.063
6	Cl	-0.063

	x	y	z
x	5.407	0.648	0.000
y	0.648	11.011	0.000
z	0.000	0.000	3.826

<r²>	193.680
(<r²>)^1/2	13.917