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	hartrees
Energy at 0K	-7710.706735
Energy at 298.15K	-7710.718390
HF Energy	-7710.557113
Nuclear repulsion energy	962.147869

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3371	2997	0.21
2	A₁	1589	1413	0.91
3	A₁	1146	1019	15.74
4	A₁	445	396	7.51
5	A₁	244	217	1.29
6	A₂	278	247	0.00
7	E	3557	3162	0.01
7	E	3557	3162	0.01
8	E	1701	1512	0.55
8	E	1701	1512	0.55
9	E	1217	1082	48.95
9	E	1217	1082	48.95
10	E	788	700	51.57
10	E	788	700	51.57
11	E	288	256	0.06
11	E	288	256	0.06
12	E	163	145	0.45
12	E	163	145	0.45

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.423
C2	0.000	0.000	2.003
Br3	0.000	1.868	-0.207
Br4	1.617	-0.934	-0.207
Br5	-1.617	-0.934	-0.207
H6	0.000	-1.038	2.380
H7	0.899	0.519	2.380
H8	-0.899	0.519	2.380

	C1	C2	Br3	Br4	Br5	H6	H7	H8
C1		1.5797	1.9708	1.9708	1.9708	2.2153	2.2153	2.2153
C2	1.5797		2.8928	2.8928	2.8928	1.1042	1.1042	1.1042
Br3	1.9708	2.8928		3.2348	3.2348	3.8900	3.0526	3.0526
Br4	1.9708	2.8928	3.2348		3.2348	3.0526	3.0526	3.8900
Br5	1.9708	2.8928	3.2348	3.2348		3.0526	3.8900	3.0526
H6	2.2153	1.1042	3.8900	3.0526	3.0526		1.7972	1.7972
H7	2.2153	1.1042	3.0526	3.0526	3.8900	1.7972		1.7972
H8	2.2153	1.1042	3.0526	3.8900	3.0526	1.7972	1.7972

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.995	C1	C2	H7	109.995
C1	C2	H8	109.995	C2	C1	Br3	108.627
C2	C1	Br4	108.627	C2	C1	Br5	108.627
Br3	C1	Br4	110.302	Br3	C1	Br5	110.302
Br4	C1	Br5	110.302	H6	C2	H7	108.942
H6	C2	H8	108.942	H7	C2	H8	108.942

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

using model chemistry: MP2=FULL/STO-3G

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/STO-3G

States and conformations

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