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	hartrees
Energy at 0K	-106.230821
Energy at 298.15K	-106.232741
Nuclear repulsion energy	76.235050

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3486	3137	0.00
2	A_g	1806	1625	0.00
3	A_g	1417	1275	0.00
4	A_g	859	773	0.00
5	A_g	354	319	0.00
6	A_u	1058	952	118.26
7	A_u	225	202	2.47
8	B_g	914	823	0.00
9	B_u	3477	3129	16.50
10	B_u	1335	1201	23.75
11	B_u	795	716	142.78
12	B_u	245	220	8.23

Atom	x (Å)	y (Å)
C1	0.000	0.658
C2	0.000	-0.658
H3	0.864	1.285
H4	-0.864	-1.285
Cl5	-1.539	1.576
Cl6	1.539	-1.576

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3170	1.0670	2.1267	1.7916	2.7130
C2	1.3170		2.1267	1.0670	2.7130	1.7916
H3	1.0670	2.1267		3.0964	2.4204	2.9392
H4	2.1267	1.0670	3.0964		2.9392	2.4204
Cl5	1.7916	2.7130	2.4204	2.9392		4.4053
Cl6	2.7130	1.7916	2.9392	2.4204	4.4053

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	125.943	C1	C2	Cl6	120.796
C2	C1	H3	125.943	C2	C1	Cl5	120.796
H3	C1	Cl5	113.261	H4	C2	Cl6	113.261

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

using model chemistry: HF/LANL2DZ

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	-0.195
2	C	-0.195
3	H	0.267
4	H	0.267
5	Cl	-0.072
6	Cl	-0.072

	x	y	z
x	6.364	-3.001	0.000
y	-3.001	7.138	0.000
z	0.000	0.000	1.577

<r²>	101.680
(<r²>)^1/2	10.084