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	hartrees
Energy at 0K	-7795.304228
Energy at 298.15K	-7795.316066
HF Energy	-7794.620569
Nuclear repulsion energy	974.450996

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3094	2947	2.80
2	A₁	1395	1329	5.42
3	A₁	1096	1043	7.27
4	A₁	422	402	4.71
5	A₁	224	213	0.04
6	A₂	335	319	0.00
7	E	3210	3058	1.64
7	E	3210	3058	1.64
8	E	1472	1402	3.52
8	E	1472	1402	3.52
9	E	1088	1037	45.18
9	E	1088	1037	45.18
10	E	662	630	69.58
10	E	662	630	69.59
11	E	284	271	1.14
11	E	284	271	1.14
12	E	155	148	0.02
12	E	155	148	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.452
C2	0.000	0.000	1.974
Br3	0.000	1.843	-0.205
Br4	1.596	-0.921	-0.205
Br5	-1.596	-0.921	-0.205
H6	0.000	-1.039	2.339
H7	0.900	0.520	2.339
H8	-0.900	0.520	2.339

	C1	C2	Br3	Br4	Br5	H6	H7	H8
C1		1.5224	1.9564	1.9564	1.9564	2.1538	2.1538	2.1538
C2	1.5224		2.8544	2.8544	2.8544	1.1011	1.1011	1.1011
Br3	1.9564	2.8544		3.1915	3.1915	3.8441	3.0054	3.0054
Br4	1.9564	2.8544	3.1915		3.1915	3.0054	3.0054	3.8441
Br5	1.9564	2.8544	3.1915	3.1915		3.0054	3.8441	3.0054
H6	2.1538	1.1011	3.8441	3.0054	3.0054		1.7999	1.7999
H7	2.1538	1.1011	3.0054	3.0054	3.8441	1.7999		1.7999
H8	2.1538	1.1011	3.0054	3.8441	3.0054	1.7999	1.7999

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.307	C1	C2	H7	109.307
C1	C2	H8	109.307	C2	C1	Br3	109.640
C2	C1	Br4	109.640	C2	C1	Br5	109.640
Br3	C1	Br4	109.302	Br3	C1	Br5	109.302
Br4	C1	Br5	109.302	H6	C2	H7	109.635
H6	C2	H8	109.635	H7	C2	H8	109.635

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

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

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