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	hartrees
Energy at 0K	-997.718379
Energy at 298.15K	-997.720109
Nuclear repulsion energy	173.406748

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3161	3144	0.00
2	A_g	1580	1571	0.00
3	A_g	1262	1255	0.00
4	A_g	806	802	0.00
5	A_g	337	335	0.00
6	A_u	899	894	44.23
7	A_u	206	205	0.52
8	B_g	744	740	0.00
9	B_u	3159	3141	13.19
10	B_u	1174	1168	20.10
11	B_u	774	770	131.65
12	B_u	228	226	3.45

Atom	x (Å)	y (Å)
C1	-0.371	0.556
C2	0.371	-0.556
H3	-1.459	0.573
H4	1.459	-0.573
Cl5	0.371	2.146
Cl6	-0.371	-2.146

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3370	1.0877	2.1500	1.7544	2.7021
C2	1.3370		2.1500	1.0877	2.7021	1.7544
H3	1.0877	2.1500		3.1342	2.4125	2.9286
H4	2.1500	1.0877	3.1342		2.9286	2.4125
Cl5	1.7544	2.7021	2.4125	2.9286		4.3555
Cl6	2.7021	1.7544	2.9286	2.4125	4.3555

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	124.608	C1	C2	Cl6	121.278
C2	C1	H3	124.608	C2	C1	Cl5	121.278
H3	C1	Cl5	114.113	H4	C2	Cl6	114.113

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

using model chemistry: BLYP/6-31G(2df,p)

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	-0.025
2	C	-0.025
3	H	0.143
4	H	0.143
5	Cl	-0.118
6	Cl	-0.118

	x	y	z
x	5.644	0.729	0.000
y	0.729	11.571	0.000
z	0.000	0.000	3.833

<r²>	194.712
(<r²>)^1/2	13.954