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	hartrees
Energy at 0K	-41.403997
Energy at 298.15K	-41.405956
Nuclear repulsion energy	51.354303

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3417	3118	0.00
2	A_g	1773	1618	0.00
3	A_g	1405	1282	0.00
4	A_g	872	795	0.00
5	A_g	357	326	0.00
6	A_u	1044	953	120.19
7	A_u	225	205	1.69
8	B_g	915	835	0.00
9	B_u	3407	3109	17.68
10	B_u	1322	1206	30.00
11	B_u	821	749	146.13
12	B_u	244	223	7.46

Atom	x (Å)	y (Å)
C1	0.000	0.662
C2	0.000	-0.662
H3	0.869	1.286
H4	-0.869	-1.286
Cl5	-1.540	1.582
Cl6	1.540	-1.582

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3232	1.0702	2.1330	1.7942	2.7215
C2	1.3232		2.1330	1.0702	2.7215	1.7942
H3	1.0702	2.1330		3.1046	2.4270	2.9461
H4	2.1330	1.0702	3.1046		2.9461	2.4270
Cl5	1.7942	2.7215	2.4270	2.9461		4.4159
Cl6	2.7215	1.7942	2.9461	2.4270	4.4159

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	125.713	C1	C2	Cl6	120.876
C2	C1	H3	125.713	C2	C1	Cl5	120.876
H3	C1	Cl5	113.411	H4	C2	Cl6	113.411

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	-0.213
2	C	-0.213
3	H	0.240
4	H	0.240
5	Cl	-0.027
6	Cl	-0.027

	x	y	z
x	7.282	-3.080	0.000
y	-3.080	8.133	0.000
z	0.000	0.000	2.455

<r²>	100.404
(<r²>)^1/2	10.020