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	hartrees
Energy at 0K	-7757.543328
Energy at 298.15K	-7757.555020
HF Energy	-7757.197161
Nuclear repulsion energy	946.493094

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3048	2956
2	A₁	1489	1444
3	A₁	1029	998
4	A₁	385	374
5	A₁	207	201
6	A₂	315	305
7	E	3129	3035
7	E	3129	3034
8	E	1553	1507
8	E	1553	1506
9	E	1148	1113
9	E	1147	1113
10	E	637	618
10	E	637	618
11	E	281	273
11	E	280	272
12	E	145	141
12	E	145	141

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.458
C2	0.000	0.000	1.991
Br3	0.000	1.904	-0.207
Br4	1.649	-0.952	-0.207
Br5	-1.649	-0.952	-0.207
H6	0.000	-1.034	2.359
H7	0.895	0.517	2.359
H8	-0.895	0.517	2.359

	C1	C2	Br3	Br4	Br5	H6	H7	H8
C1		1.5328	2.0174	2.0174	2.0174	2.1637	2.1637	2.1637
C2	1.5328		2.9087	2.9087	2.9087	1.0975	1.0975	1.0975
Br3	2.0174	2.9087		3.2985	3.2985	3.9014	3.0518	3.0518
Br4	2.0174	2.9087	3.2985		3.2985	3.0518	3.0518	3.9014
Br5	2.0174	2.9087	3.2985	3.2985		3.0518	3.9014	3.0518
H6	2.1637	1.0975	3.9014	3.0518	3.0518		1.7908	1.7908
H7	2.1637	1.0975	3.0518	3.0518	3.9014	1.7908		1.7908
H8	2.1637	1.0975	3.0518	3.9014	3.0518	1.7908	1.7908

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.589	C1	C2	H7	109.589
C1	C2	H8	109.589	C2	C1	Br3	109.269
C2	C1	Br4	109.269	C2	C1	Br5	109.269
Br3	C1	Br4	109.672	Br3	C1	Br5	109.672
Br4	C1	Br5	109.672	H6	C2	H7	109.353
H6	C2	H8	109.353	H7	C2	H8	109.353

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

using model chemistry: MP4/3-21G

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: MP4/3-21G

States and conformations

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