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	hartrees
Energy at 0K	-996.384230
Energy at 298.15K	-996.386101
HF Energy	-995.829477
Nuclear repulsion energy	174.923465

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3268	3112	0.00
2	A_g	1694	1613	0.00
3	A_g	1342	1278	0.00
4	A_g	889	846	0.00
5	A_g	358	341	0.00
6	A_u	948	903	63.96
7	A_u	217	207	0.66
8	B_g	786	749	0.00
9	B_u	3263	3108	12.11
10	B_u	1275	1214	19.06
11	B_u	859	818	101.71
12	B_u	245	233	3.94

Atom	x (Å)	y (Å)
C1	0.000	0.667
C2	0.000	-0.667
H3	0.903	1.268
H4	-0.903	-1.268
Cl5	-1.477	1.574
Cl6	1.477	-1.574

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3336	1.0849	2.1354	1.7333	2.6836
C2	1.3336		2.1354	1.0849	2.6836	1.7333
H3	1.0849	2.1354		3.1138	2.3995	2.8995
H4	2.1354	1.0849	3.1138		2.8995	2.3995
Cl5	1.7333	2.6836	2.3995	2.8995		4.3166
Cl6	2.6836	1.7333	2.8995	2.3995	4.3166

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	123.673	C1	C2	Cl6	121.552
C2	C1	H3	123.673	C2	C1	Cl5	121.552
H3	C1	Cl5	114.775	H4	C2	Cl6	114.775

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

using model chemistry: QCISD/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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