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	hartrees
Energy at 0K	-997.286436
Energy at 298.15K	-997.288205
Nuclear repulsion energy	174.834567

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3167	3135	0.00
2	A_g	1600	1584	0.00
3	A_g	1253	1240	0.00
4	A_g	834	826	0.00
5	A_g	346	342	0.00
6	A_u	895	886	47.29
7	A_u	210	208	0.35
8	B_g	747	740	0.00
9	B_u	3164	3132	14.98
10	B_u	1167	1155	17.13
11	B_u	818	809	128.34
12	B_u	228	225	3.23

Atom	x (Å)	y (Å)
C1	-0.369	0.558
C2	0.369	-0.558
H3	-1.459	0.569
H4	1.459	-0.569
Cl5	0.369	2.126
Cl6	-0.369	-2.126

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3375	1.0901	2.1470	1.7327	2.6842
C2	1.3375		2.1470	1.0901	2.6842	1.7327
H3	1.0901	2.1470		3.1316	2.4005	2.9075
H4	2.1470	1.0901	3.1316		2.9075	2.4005
Cl5	1.7327	2.6842	2.4005	2.9075		4.3157
Cl6	2.6842	1.7327	2.9075	2.4005	4.3157

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	124.038	C1	C2	Cl6	121.379
C2	C1	H3	124.038	C2	C1	Cl5	121.379
H3	C1	Cl5	114.583	H4	C2	Cl6	114.583

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

using model chemistry: PBEPBE/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	-0.076
2	C	-0.076
3	H	0.168
4	H	0.168
5	Cl	-0.091
6	Cl	-0.091

	x	y	z
x	5.635	0.712	0.000
y	0.712	11.448	0.000
z	0.000	0.000	3.853

<r²>	0.000
(<r²>)^1/2	0.000