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	hartrees
Energy at 0K	-41.484733
Energy at 298.15K	-41.486739
Nuclear repulsion energy	52.304834

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3420	3089	0.00
2	A_g	1789	1617	0.00
3	A_g	1412	1276	0.00
4	A_g	925	836	0.00
5	A_g	375	339	0.00
6	A_u	1039	939	81.77
7	A_u	232	209	0.64
8	B_g	888	802	0.00
9	B_u	3414	3084	16.39
10	B_u	1329	1200	29.80
11	B_u	887	802	156.62
12	B_u	254	229	4.98

Atom	x (Å)	y (Å)
C1	0.000	0.659
C2	0.000	-0.659
H3	0.887	1.263
H4	-0.887	-1.263
Cl5	-1.488	1.563
Cl6	1.488	-1.563

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3174	1.0731	2.1165	1.7417	2.6743
C2	1.3174		2.1165	1.0731	2.6743	1.7417
H3	1.0731	2.1165		3.0865	2.3941	2.8895
H4	2.1165	1.0731	3.0865		2.8895	2.3941
Cl5	1.7417	2.6743	2.3941	2.8895		4.3168
Cl6	2.6743	1.7417	2.8895	2.3941	4.3168

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	124.276	C1	C2	Cl6	121.283
C2	C1	H3	124.276	C2	C1	Cl5	121.283
H3	C1	Cl5	114.441	H4	C2	Cl6	114.441

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

using model chemistry: HF/CEP-121G*

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	-0.133
2	C	-0.133
3	H	0.262
4	H	0.262
5	Cl	-0.128
6	Cl	-0.128

	x	y	z
x	7.182	-2.565	0.000
y	-2.565	8.424	0.000
z	0.000	0.000	3.434

<r²>	96.422
(<r²>)^1/2	9.819