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	hartrees
Energy at 0K	-997.273246
Energy at 298.15K	-997.275002
Nuclear repulsion energy	174.206431

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3176	3131	0.00
2	A_g	1615	1591	0.00
3	A_g	1275	1257	0.00
4	A_g	841	829	0.00
5	A_g	345	340	0.00
6	A_u	893	881	66.56
7	A_u	210	207	0.26
8	B_g	736	726	0.00
9	B_u	3174	3128	13.50
10	B_u	1201	1184	17.22
11	B_u	813	802	135.23
12	B_u	231	228	3.15

Atom	x (Å)	y (Å)
C1	-0.368	0.560
C2	0.368	-0.560
H3	-1.460	0.571
H4	1.460	-0.571
Cl5	0.368	2.135
Cl6	-0.368	-2.135

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3405	1.0921	2.1504	1.7391	2.6952
C2	1.3405		2.1504	1.0921	2.6952	1.7391
H3	1.0921	2.1504		3.1363	2.4064	2.9185
H4	2.1504	1.0921	3.1363		2.9185	2.4064
Cl5	1.7391	2.6952	2.4064	2.9185		4.3336
Cl6	2.6952	1.7391	2.9185	2.4064	4.3336

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	123.935	C1	C2	Cl6	121.593
C2	C1	H3	123.935	C2	C1	Cl5	121.593
H3	C1	Cl5	114.473	H4	C2	Cl6	114.473

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

using model chemistry: PBEPBE/6-31G*

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	-0.240
2	C	-0.240
3	H	0.218
4	H	0.218
5	Cl	0.023
6	Cl	0.023

	x	y	z
x	4.947	0.781	0.000
y	0.781	10.825	0.000
z	0.000	0.000	2.771

<r²>	193.096
(<r²>)^1/2	13.896