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	hartrees
Energy at 0K	-996.012214
Energy at 298.15K	-996.013816
HF Energy	-995.733724
Nuclear repulsion energy	167.800059

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3261	3148	0.00
2	A_g	1587	1532	0.00
3	A_g	1314	1268	0.00
4	A_g	780	753	0.00
5	A_g	318	307	0.00
6	A_u	918	886	100.78
7	A_u	195	188	0.61
8	B_g	640	618	0.00
9	B_u	3257	3144	8.46
10	B_u	1229	1186	18.26
11	B_u	730	704	75.21
12	B_u	216	209	4.82

Atom	x (Å)	y (Å)
C1	0.000	0.678
C2	0.000	-0.678
H3	0.885	1.314
H4	-0.885	-1.314
Cl5	-1.581	1.608
Cl6	1.581	-1.608

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3561	1.0896	2.1797	1.8341	2.7794
C2	1.3561		2.1797	1.0896	2.7794	1.8341
H3	1.0896	2.1797		3.1683	2.4831	3.0037
H4	2.1797	1.0896	3.1683		3.0037	2.4831
Cl5	1.8341	2.7794	2.4831	3.0037		4.5099
Cl6	2.7794	1.8341	3.0037	2.4831	4.5099

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	125.712	C1	C2	Cl6	120.461
C2	C1	H3	125.712	C2	C1	Cl5	120.461
H3	C1	Cl5	113.827	H4	C2	Cl6	113.827

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

using model chemistry: MP2/SDD

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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