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	hartrees
Energy at 0K	-7788.478305
Energy at 298.15K	-7788.490209
HF Energy	-7787.680000
Nuclear repulsion energy	992.492454

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3105	2933	0.87
2	A₁	1420	1341	8.38
3	A₁	1089	1028	3.19
4	A₁	433	409	3.34
5	A₁	233	220	0.07
6	A₂	328	310	0.00
7	E	3215	3037	0.71
7	E	3215	3037	0.71
8	E	1497	1414	3.79
8	E	1497	1414	3.79
9	E	1101	1040	38.12
9	E	1101	1040	38.12
10	E	692	654	52.11
10	E	692	654	52.11
11	E	288	272	0.75
11	E	288	272	0.75
12	E	161	152	0.05
12	E	161	152	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.441
C2	0.000	0.000	1.959
Br3	0.000	1.806	-0.203
Br4	1.564	-0.903	-0.203
Br5	-1.564	-0.903	-0.203
H6	0.000	-1.029	2.321
H7	0.891	0.514	2.321
H8	-0.891	0.514	2.321

	C1	C2	Br3	Br4	Br5	H6	H7	H8
C1		1.5184	1.9176	1.9176	1.9176	2.1432	2.1432	2.1432
C2	1.5184		2.8178	2.8178	2.8178	1.0907	1.0907	1.0907
Br3	1.9176	2.8178		3.1281	3.1281	3.7961	2.9725	2.9725
Br4	1.9176	2.8178	3.1281		3.1281	2.9725	2.9725	3.7961
Br5	1.9176	2.8178	3.1281	3.1281		2.9725	3.7961	2.9725
H6	2.1432	1.0907	3.7961	2.9725	2.9725		1.7822	1.7822
H7	2.1432	1.0907	2.9725	2.9725	3.7961	1.7822		1.7822
H8	2.1432	1.0907	2.9725	3.7961	2.9725	1.7822	1.7822

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.365	C1	C2	H7	109.365
C1	C2	H8	109.365	C2	C1	Br3	109.641
C2	C1	Br4	109.641	C2	C1	Br5	109.641
Br3	C1	Br4	109.301	Br3	C1	Br5	109.301
Br4	C1	Br5	109.301	H6	C2	H7	109.577
H6	C2	H8	109.577	H7	C2	H8	109.577

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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