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	hartrees
Energy at 0K	-5218.389100
Energy at 298.15K	-5218.399259
HF Energy	-5217.846482
Nuclear repulsion energy	414.607990

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A_g	3132	2990
2	A_g	1530	1460
3	A_g	1320	1261
4	A_g	1092	1042
5	A_g	683	652
6	A_g	192	184
7	A_u	3219	3073
8	A_u	1119	1069
9	A_u	764	729
10	A_u	103	98
11	B_g	3199	3054
12	B_g	1313	1254
13	B_g	960	917
14	B_u	3138	2996
15	B_u	1523	1454
16	B_u	1231	1175
17	B_u	604	577
18	B_u	183	174

Atom	x (Å)	y (Å)	z (Å)
C1	0.498	0.571	0.000
C2	-0.498	-0.571	0.000
Br3	-0.498	2.278	0.000
Br4	0.498	-2.278	0.000
H5	1.122	0.571	0.896
H6	1.122	0.571	-0.896
H7	-1.122	-0.571	0.896
H8	-1.122	-0.571	-0.896

	C1	C2	Br3	Br4	H5	H6	H7	H8
C1		1.5146	1.9763	2.8483	1.0924	1.0924	2.1753	2.1753
C2	1.5146		2.8483	1.9763	2.1753	2.1753	1.0924	1.0924
Br3	1.9763	2.8483		4.6630	2.5182	2.5182	3.0510	3.0510
Br4	2.8483	1.9763	4.6630		3.0510	3.0510	2.5182	2.5182
H5	1.0924	2.1753	2.5182	3.0510		1.7924	2.5188	3.0914
H6	1.0924	2.1753	2.5182	3.0510	1.7924		3.0914	2.5188
H7	2.1753	1.0924	3.0510	2.5182	2.5188	3.0914		1.7924
H8	2.1753	1.0924	3.0510	2.5182	3.0914	2.5188	1.7924

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br4	108.641	C1	C2	H7	112.099
C1	C2	H8	112.099	C2	C1	Br3	108.641
C2	C1	H5	112.099	C2	C1	H6	112.099
Br3	C1	H5	106.722	Br3	C1	H6	106.722
Br4	C2	H7	106.722	Br4	C2	H8	106.722
H5	C1	H6	110.251	H7	C2	H8	110.251

All results from a given calculation for CH₂BrCH₂Br (Ethane, 1,2-dibromo-)

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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All results from a given calculation for CH2BrCH2Br (Ethane, 1,2-dibromo-)

using model chemistry: MP4/6-31G*

States and conformations

All results from a given calculation for CH₂BrCH₂Br (Ethane, 1,2-dibromo-)