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	hartrees
Energy at 0K	-41.396798
Energy at 298.15K	-41.398738
Nuclear repulsion energy	51.160442

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3476	3134	0.00
2	A_g	1805	1627	0.00
3	A_g	1417	1278	0.00
4	A_g	878	791	0.00
5	A_g	356	320	0.00
6	A_u	1056	952	119.45
7	A_u	224	202	1.83
8	B_g	923	832	0.00
9	B_u	3464	3123	23.51
10	B_u	1325	1195	33.47
11	B_u	823	741	144.48
12	B_u	246	221	7.69

Atom	x (Å)	y (Å)
C1	0.000	0.669
C2	0.000	-0.669
H3	0.870	1.297
H4	-0.870	-1.297
Cl5	-1.549	1.580
Cl6	1.549	-1.580

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3384	1.0731	2.1501	1.7968	2.7311
C2	1.3384		2.1501	1.0731	2.7311	1.7968
H3	1.0731	2.1501		3.1237	2.4355	2.9561
H4	2.1501	1.0731	3.1237		2.9561	2.4355
Cl5	1.7968	2.7311	2.4355	2.9561		4.4253
Cl6	2.7311	1.7968	2.9561	2.4355	4.4253

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	125.797	C1	C2	Cl6	120.472
C2	C1	H3	125.797	C2	C1	Cl5	120.472
H3	C1	Cl5	113.730	H4	C2	Cl6	113.730

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

using model chemistry: HF/CEP-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
1	C	-0.227
2	C	-0.227
3	H	0.286
4	H	0.286
5	Cl	-0.059
6	Cl	-0.059

	x	y	z
x	7.013	-3.363	0.000
y	-3.363	7.744	0.000
z	0.000	0.000	1.695

<r²>	100.915
(<r²>)^1/2	10.046