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	hartrees
Energy at 0K	-996.432850
Energy at 298.15K	-996.434722
HF Energy	-995.878415
Nuclear repulsion energy	174.806737

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3276	3113	0.00
2	A_g	1653	1571	0.00
3	A_g	1298	1234	0.00
4	A_g	882	838	0.00
5	A_g	359	341	0.00
6	A_u	937	890	60.04
7	A_u	218	207	0.29
8	B_g	770	732	0.00
9	B_u	3272	3109	13.29
10	B_u	1218	1158	19.67
11	B_u	866	823	108.05
12	B_u	239	228	3.34

Atom	x (Å)	y (Å)
C1	0.000	0.672
C2	0.000	-0.672
H3	0.914	1.269
H4	-0.914	-1.269
Cl5	-1.479	1.570
Cl6	1.479	-1.570

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3441	1.0919	2.1457	1.7305	2.6863
C2	1.3441		2.1457	1.0919	2.6863	1.7305
H3	1.0919	2.1457		3.1283	2.4120	2.8953
H4	2.1457	1.0919	3.1283		2.8953	2.4120
Cl5	1.7305	2.6863	2.4120	2.8953		4.3145
Cl6	2.6863	1.7305	2.8953	2.4120	4.3145

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	123.160	C1	C2	Cl6	121.273
C2	C1	H3	123.160	C2	C1	Cl5	121.273
H3	C1	Cl5	115.567	H4	C2	Cl6	115.567

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

using model chemistry: MP2=FULL/cc-pVDZ

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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