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	hartrees
Energy at 0K	-996.303344
Energy at 298.15K	-996.305304
HF Energy	-995.830281
Nuclear repulsion energy	175.900592

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3360	3104	0.00
2	A_g	1773	1638	0.00
3	A_g	1383	1278	0.00
4	A_g	916	846	0.00
5	A_g	371	342	0.00
6	A_u	1000	924	68.53
7	A_u	228	210	0.78
8	B_g	849	785	0.00
9	B_u	3354	3098	14.33
10	B_u	1311	1211	20.11
11	B_u	885	818	113.14
12	B_u	253	233	4.25

Atom	x (Å)	y (Å)
C1	0.000	0.660
C2	0.000	-0.660
H3	0.897	1.258
H4	-0.897	-1.258
Cl5	-1.469	1.566
Cl6	1.469	-1.566

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3205	1.0779	2.1178	1.7259	2.6675
C2	1.3205		2.1178	1.0779	2.6675	1.7259
H3	1.0779	2.1178		3.0903	2.3857	2.8820
H4	2.1178	1.0779	3.0903		2.8820	2.3857
Cl5	1.7259	2.6675	2.3857	2.8820		4.2947
Cl6	2.6675	1.7259	2.8820	2.3857	4.2947

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	123.701	C1	C2	Cl6	121.665
C2	C1	H3	123.701	C2	C1	Cl5	121.665
H3	C1	Cl5	114.634	H4	C2	Cl6	114.634

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

using model chemistry: CID/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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