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	hartrees
Energy at 0K	-996.475470
Energy at 298.15K	-996.477329
HF Energy	-995.892435
Nuclear repulsion energy	174.946116

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3237	3099	0.00
2	A_g	1676	1605	0.00
3	A_g	1331	1274	0.00
4	A_g	882	845	0.00
5	A_g	357	342	0.00
6	A_u	932	892	75.37
7	A_u	214	205	0.26
8	B_g	761	729	0.00
9	B_u	3233	3095	13.53
10	B_u	1265	1211	18.36
11	B_u	853	817	111.99
12	B_u	243	233	3.39

Atom	x (Å)	y (Å)
C1	0.000	0.666
C2	0.000	-0.666
H3	0.902	1.269
H4	-0.902	-1.269
Cl5	-1.478	1.573
Cl6	1.478	-1.573

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3328	1.0845	2.1349	1.7335	2.6827
C2	1.3328		2.1349	1.0845	2.6827	1.7335
H3	1.0845	2.1349		3.1132	2.3990	2.8990
H4	2.1349	1.0845	3.1132		2.8990	2.3990
Cl5	1.7335	2.6827	2.3990	2.8990		4.3160
Cl6	2.6827	1.7335	2.8990	2.3990	4.3160

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	123.735	C1	C2	Cl6	121.516
C2	C1	H3	123.735	C2	C1	Cl5	121.516
H3	C1	Cl5	114.749	H4	C2	Cl6	114.749

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

using model chemistry: QCISD/6-311G*

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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