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	hartrees
Energy at 0K	-7757.513550
Energy at 298.15K	-7757.525339
HF Energy	-7757.198257
Nuclear repulsion energy	951.681835

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3102	2962	3.25
2	A₁	1512	1444	9.92
3	A₁	1055	1007	6.23
4	A₁	396	378	4.73
5	A₁	213	203	0.03
6	A₂	327	312	0.00
7	E	3188	3044	3.06
7	E	3188	3044	3.06
8	E	1576	1505	3.77
8	E	1576	1505	3.77
9	E	1168	1115	48.77
9	E	1168	1115	48.77
10	E	659	630	60.58
10	E	659	630	60.58
11	E	288	275	0.73
11	E	288	275	0.73
12	E	149	142	0.06
12	E	149	142	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.455
C2	0.000	0.000	1.980
Br3	0.000	1.894	-0.206
Br4	1.640	-0.947	-0.206
Br5	-1.640	-0.947	-0.206
H6	0.000	-1.029	2.349
H7	0.891	0.515	2.349
H8	-0.891	0.515	2.349

	C1	C2	Br3	Br4	Br5	H6	H7	H8
C1		1.5254	2.0060	2.0060	2.0060	2.1554	2.1554	2.1554
C2	1.5254		2.8928	2.8928	2.8928	1.0932	1.0932	1.0932
Br3	2.0060	2.8928		3.2804	3.2804	3.8824	3.0373	3.0373
Br4	2.0060	2.8928	3.2804		3.2804	3.0373	3.0373	3.8824
Br5	2.0060	2.8928	3.2804	3.2804		3.0373	3.8824	3.0373
H6	2.1554	1.0932	3.8824	3.0373	3.0373		1.7827	1.7827
H7	2.1554	1.0932	3.0373	3.0373	3.8824	1.7827		1.7827
H8	2.1554	1.0932	3.0373	3.8824	3.0373	1.7827	1.7827

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.692	C1	C2	H7	109.692
C1	C2	H8	109.692	C2	C1	Br3	109.247
C2	C1	Br4	109.247	C2	C1	Br5	109.247
Br3	C1	Br4	109.695	Br3	C1	Br5	109.695
Br4	C1	Br5	109.695	H6	C2	H7	109.250
H6	C2	H8	109.250	H7	C2	H8	109.250

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

using model chemistry: MP2=FULL/3-21G

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/3-21G

States and conformations

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