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	hartrees
Energy at 0K	-997.767047
Energy at 298.15K	-997.768770
Nuclear repulsion energy	172.398539

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3153	3147	0.00
2	A_g	1578	1575	0.00
3	A_g	1250	1248	0.00
4	A_g	802	800	0.00
5	A_g	333	333	0.00
6	A_u	877	876	54.59
7	A_u	204	203	0.20
8	B_g	747	746	0.00
9	B_u	3150	3144	13.91
10	B_u	1170	1168	20.54
11	B_u	763	762	139.62
12	B_u	227	227	3.03

Atom	x (Å)	y (Å)
C1	-0.373	0.558
C2	0.373	-0.558
H3	-1.467	0.578
H4	1.467	-0.578
Cl5	0.373	2.159
Cl6	-0.373	-2.159

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3417	1.0947	2.1621	1.7661	2.7164
C2	1.3417		2.1621	1.0947	2.7164	1.7661
H3	1.0947	2.1621		3.1537	2.4260	2.9471
H4	2.1621	1.0947	3.1537		2.9471	2.4260
Cl5	1.7661	2.7164	2.4260	2.9471		4.3813
Cl6	2.7164	1.7661	2.9471	2.4260	4.3813

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	124.800	C1	C2	Cl6	121.271
C2	C1	H3	124.800	C2	C1	Cl5	121.271
H3	C1	Cl5	113.929	H4	C2	Cl6	113.929

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

using model chemistry: BLYP/aug-cc-pVDZ

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	0.614
2	C	0.614
3	H	-0.499
4	H	-0.499
5	Cl	-0.114
6	Cl	-0.114

	x	y	z
x	7.058	0.686	0.000
y	0.686	13.135	0.000
z	0.000	0.000	5.740

<r²>	197.357
(<r²>)^1/2	14.048