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	hartrees
Energy at 0K	-996.377320
Energy at 298.15K	-996.379212
HF Energy	-995.829813
Nuclear repulsion energy	175.278909

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3303	3100	0.00
2	A_g	1718	1612	0.00
3	A_g	1353	1270	0.00
4	A_g	897	842	0.00
5	A_g	362	340	0.00
6	A_u	958	899	67.41
7	A_u	220	206	0.67
8	B_g	795	746	0.00
9	B_u	3298	3096	13.19
10	B_u	1285	1206	18.67
11	B_u	868	815	103.88
12	B_u	246	231	4.09

Atom	x (Å)	y (Å)
C1	-0.366	0.555
C2	0.366	-0.555
H3	-1.449	0.560
H4	1.449	-0.560
Cl5	0.366	2.123
Cl6	-0.366	-2.123

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3296	1.0824	2.1302	1.7306	2.6773
C2	1.3296		2.1302	1.0824	2.6773	1.7306
H3	1.0824	2.1302		3.1066	2.3949	2.8929
H4	2.1302	1.0824	3.1066		2.8929	2.3949
Cl5	1.7306	2.6773	2.3949	2.8929		4.3079
Cl6	2.6773	1.7306	2.8929	2.3949	4.3079

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	123.729	C1	C2	Cl6	121.511
C2	C1	H3	123.729	C2	C1	Cl5	121.511
H3	C1	Cl5	114.760	H4	C2	Cl6	114.760

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

using model chemistry: MP3/6-31G*

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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