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	hartrees
Energy at 0K	-996.459789
Energy at 298.15K	-996.461643
HF Energy	-995.902711
Nuclear repulsion energy	175.194312

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3282	3111	0.00
2	A_g	1653	1567	0.00
3	A_g	1335	1266	0.00
4	A_g	881	835	0.00
5	A_g	357	338	0.00
6	A_u	942	893	63.37
7	A_u	212	201	0.16
8	B_g	728	690	0.00
9	B_u	3279	3108	12.85
10	B_u	1260	1194	20.21
11	B_u	850	805	112.26
12	B_u	242	230	3.52

Atom	x (Å)	y (Å)
C1	-0.368	0.553
C2	0.368	-0.553
H3	-1.447	0.554
H4	1.447	-0.554
Cl5	0.368	2.123
Cl6	-0.368	-2.123

	C1	C2	H3	H4	Cl5	Cl6
C1		1.3282	1.0791	2.1251	1.7339	2.6766
C2	1.3282		2.1251	1.0791	2.6766	1.7339
H3	1.0791	2.1251		3.0978	2.3991	2.8863
H4	2.1251	1.0791	3.0978		2.8863	2.3991
Cl5	1.7339	2.6766	2.3991	2.8863		4.3101
Cl6	2.6766	1.7339	2.8863	2.3991	4.3101

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	123.624	C1	C2	Cl6	121.315
C2	C1	H3	123.624	C2	C1	Cl5	121.315
H3	C1	Cl5	115.061	H4	C2	Cl6	115.061

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

using model chemistry: MP2/TZVP

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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