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	hartrees
Energy at 0K	-5222.590995
Energy at 298.15K	-5222.598349
HF Energy	-5221.818972
Nuclear repulsion energy	390.321349

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3262	3097	0.00
2	A_g	1613	1532	0.00
3	A_g	1291	1225	0.00
4	A_g	780	741	0.00
5	A_g	226	215	0.00
6	A_u	947	899	54.18
7	A_u	176	167	0.01
8	B_g	761	723	0.00
9	B_u	3257	3093	15.42
10	B_u	1196	1136	37.25
11	B_u	729	692	60.79
12	B_u	199	189	1.58

Atom	x (Å)	y (Å)
C1	-0.380	0.546
C2	0.380	-0.546
Br3	0.380	2.255
Br4	-0.380	-2.255
H5	-1.458	0.523
H6	1.458	-0.523

	C1	C2	Br3	Br4	H5	H6
C1		1.3304	1.8706	2.8015	1.0784	2.1261
C2	1.3304		2.8015	1.8706	2.1261	1.0784
Br3	1.8706	2.8015		4.5744	2.5258	2.9802
Br4	2.8015	1.8706	4.5744		2.9802	2.5258
H5	1.0784	2.1261	2.5258	2.9802		3.0979
H6	2.1261	1.0784	2.9802	2.5258	3.0979

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	121.217	C1	C2	H6	123.589
C2	C1	Br3	121.217	C2	C1	H5	123.589
Br3	C1	H5	115.195	Br4	C2	H6	115.195

All results from a given calculation for CHBrCHBr (Ethene, 1,2-dibromo-, (E)-)

using model chemistry: MP2/cc-pVTZ

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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