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	hartrees
Energy at 0K	-996.401492
Energy at 298.15K	-996.403329
HF Energy	-995.828970
Nuclear repulsion energy	174.616127

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3252	3105
2	A_g	1650	1576
3	A_g	1328	1268
4	A_g	879	839
5	A_g	354	338
6	A_u	931	889
7	A_u	215	205
8	B_g	758	724
9	B_u	3248	3101
10	B_u	1263	1206
11	B_u	849	811
12	B_u	241	231

Atom	x (Å)	y (Å)
C1	0.000	0.670
C2	0.000	-0.670
H3	0.904	1.272
H4	-0.904	-1.272
Cl5	-1.479	1.576
Cl6	1.479	-1.576

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3398	1.0865	2.1424	1.7349	2.6894
C2	1.3398		2.1424	1.0865	2.6894	1.7349
H3	1.0865	2.1424		3.1218	2.4031	2.9057
H4	2.1424	1.0865	3.1218		2.9057	2.4031
Cl5	1.7349	2.6894	2.4031	2.9057		4.3232
Cl6	2.6894	1.7349	2.9057	2.4031	4.3232

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	123.667	C1	C2	Cl6	121.483
C2	C1	H3	123.667	C2	C1	Cl5	121.483
H3	C1	Cl5	114.850	H4	C2	Cl6	114.850

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

using model chemistry: MP4/6-31G*

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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