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	hartrees
Energy at 0K	-997.402784
Energy at 298.15K	-997.404656
HF Energy	-997.402784
Nuclear repulsion energy	175.590720

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3263	3115	0.00
2	A_g	1680	1604	0.00
3	A_g	1310	1251	0.00
4	A_g	876	837	0.00
5	A_g	359	343	0.00
6	A_u	935	893	74.68
7	A_u	218	208	0.14
8	B_g	800	764	0.00
9	B_u	3259	3112	16.51
10	B_u	1235	1179	18.02
11	B_u	851	812	140.41
12	B_u	241	230	3.32

Atom	x (Å)	y (Å)
C1	-0.365	0.555
C2	0.365	-0.555
H3	-1.449	0.563
H4	1.449	-0.563
Cl5	0.365	2.119
Cl6	-0.365	-2.119

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3292	1.0837	2.1306	1.7254	2.6743
C2	1.3292		2.1306	1.0837	2.6743	1.7254
H3	1.0837	2.1306		3.1082	2.3897	2.8922
H4	2.1306	1.0837	3.1082		2.8922	2.3897
Cl5	1.7254	2.6743	2.3897	2.8922		4.3001
Cl6	2.6743	1.7254	2.8922	2.3897	4.3001

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	123.693	C1	C2	Cl6	121.665
C2	C1	H3	123.693	C2	C1	Cl5	121.665
H3	C1	Cl5	114.643	H4	C2	Cl6	114.643

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

using model chemistry: HSEh1PBE/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	-0.290
2	C	-0.290
3	H	0.219
4	H	0.219
5	Cl	0.071
6	Cl	0.071

	x	y	z
x	5.627	0.518	0.000
y	0.518	11.138	0.000
z	0.000	0.000	4.193

<r²>	190.852
(<r²>)^1/2	13.815