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	hartrees
Energy at 0K	-7787.864926
Energy at 298.15K	-7787.876769
HF Energy	-7787.138978
Nuclear repulsion energy	979.126638

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3141	2935	1.94
2	A₁	1454	1358	6.46
3	A₁	1109	1036	4.86
4	A₁	422	395	4.86
5	A₁	227	212	0.07
6	A₂	327	305	0.00
7	E	3255	3041	1.58
7	E	3255	3041	1.58
8	E	1533	1433	3.59
8	E	1533	1433	3.59
9	E	1122	1048	42.06
9	E	1122	1048	42.05
10	E	659	616	67.32
10	E	659	616	67.32
11	E	284	266	1.14
11	E	284	266	1.14
12	E	161	150	0.03
12	E	161	150	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.461
C2	0.000	0.000	1.973
Br3	0.000	1.833	-0.206
Br4	1.587	-0.916	-0.206
Br5	-1.587	-0.916	-0.206
H6	0.000	-1.026	2.332
H7	0.888	0.513	2.332
H8	-0.888	0.513	2.332

	C1	C2	Br3	Br4	Br5	H6	H7	H8
C1		1.5116	1.9501	1.9501	1.9501	2.1337	2.1337	2.1337
C2	1.5116		2.8468	2.8468	2.8468	1.0868	1.0868	1.0868
Br3	1.9501	2.8468		3.1740	3.1740	3.8223	2.9952	2.9952
Br4	1.9501	2.8468	3.1740		3.1740	2.9952	2.9952	3.8223
Br5	1.9501	2.8468	3.1740	3.1740		2.9952	3.8223	2.9952
H6	2.1337	1.0868	3.8223	2.9952	2.9952		1.7765	1.7765
H7	2.1337	1.0868	2.9952	2.9952	3.8223	1.7765		1.7765
H8	2.1337	1.0868	2.9952	3.8223	2.9952	1.7765	1.7765

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.309	C1	C2	H7	109.309
C1	C2	H8	109.309	C2	C1	Br3	109.998
C2	C1	Br4	109.998	C2	C1	Br5	109.998
Br3	C1	Br4	108.939	Br3	C1	Br5	108.939
Br4	C1	Br5	108.939	H6	C2	H7	109.633
H6	C2	H8	109.633	H7	C2	H8	109.633

All results from a given calculation for CH₃CBr₃ (1,1,1-tribromoethane)

using model chemistry: MP2=FULL/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 CH3CBr3 (1,1,1-tribromoethane)

using model chemistry: MP2=FULL/6-31G**

States and conformations

All results from a given calculation for CH₃CBr₃ (1,1,1-tribromoethane)