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	hartrees
Energy at 0K	-995.834034
Energy at 298.15K	-995.836075
Nuclear repulsion energy	176.052356

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3422	3089	0.00
2	A_g	1836	1657	0.00
3	A_g	1428	1289	0.00
4	A_g	932	841	0.00
5	A_g	381	344	0.00
6	A_u	1060	957	72.37
7	A_u	236	213	1.15
8	B_g	923	833	0.00
9	B_u	3416	3083	17.04
10	B_u	1346	1215	26.44
11	B_u	890	803	142.81
12	B_u	260	235	5.02

Atom	x (Å)	y (Å)
C1	0.000	0.655
C2	0.000	-0.655
H3	0.890	1.251
H4	-0.890	-1.251
Cl5	-1.471	1.564
Cl6	1.471	-1.564

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3105	1.0712	2.1040	1.7291	2.6628
C2	1.3105		2.1040	1.0712	2.6628	1.7291
H3	1.0712	2.1040		3.0710	2.3816	2.8749
H4	2.1040	1.0712	3.0710		2.8749	2.3816
Cl5	1.7291	2.6628	2.3816	2.8749		4.2945
Cl6	2.6628	1.7291	2.8749	2.3816	4.2945

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	123.801	C1	C2	Cl6	121.723
C2	C1	H3	123.801	C2	C1	Cl5	121.723
H3	C1	Cl5	114.476	H4	C2	Cl6	114.476

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

using model chemistry: HF/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	CHELPG
1	C	-0.201	-0.069
2	C	-0.201	-0.069
3	H	0.208	0.184
4	H	0.208	0.184
5	Cl	-0.007	-0.115
6	Cl	-0.007	-0.115

	x	y	z
x	6.685	-2.551	0.000
y	-2.551	7.911	0.000
z	0.000	0.000	2.707

<r²>	190.407
(<r²>)^1/2	13.799