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	hartrees
Energy at 0K	-7787.667897
Energy at 298.15K	-7787.679850
HF Energy	-7787.134119
Nuclear repulsion energy	980.725944

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3181	2938	2.99
2	A₁	1513	1398	6.93
3	A₁	1133	1047	2.89
4	A₁	438	404	5.17
5	A₁	234	216	0.07
6	A₂	334	309	0.00
7	E	3275	3025	2.26
7	E	3275	3025	2.26
8	E	1573	1453	4.22
8	E	1573	1453	4.22
9	E	1165	1076	45.79
9	E	1165	1076	45.80
10	E	693	640	68.15
10	E	693	640	68.14
11	E	295	272	1.23
11	E	295	272	1.23
12	E	166	153	0.05
12	E	166	153	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.458
C2	0.000	0.000	1.973
Br3	0.000	1.829	-0.206
Br4	1.584	-0.915	-0.206
Br5	-1.584	-0.915	-0.206
H6	0.000	-1.024	2.337
H7	0.887	0.512	2.337
H8	-0.887	0.512	2.337

	C1	C2	Br3	Br4	Br5	H6	H7	H8
C1		1.5146	1.9458	1.9458	1.9458	2.1396	2.1396	2.1396
C2	1.5146		2.8444	2.8444	2.8444	1.0871	1.0871	1.0871
Br3	1.9458	2.8444		3.1679	3.1679	3.8216	2.9973	2.9973
Br4	1.9458	2.8444	3.1679		3.1679	2.9973	2.9973	3.8216
Br5	1.9458	2.8444	3.1679	3.1679		2.9973	3.8216	2.9973
H6	2.1396	1.0871	3.8216	2.9973	2.9973		1.7743	1.7743
H7	2.1396	1.0871	2.9973	2.9973	3.8216	1.7743		1.7743
H8	2.1396	1.0871	2.9973	3.8216	2.9973	1.7743	1.7743

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.553	C1	C2	H7	109.553
C1	C2	H8	109.553	C2	C1	Br3	109.949
C2	C1	Br4	109.949	C2	C1	Br5	109.949
Br3	C1	Br4	108.989	Br3	C1	Br5	108.989
Br4	C1	Br5	108.989	H6	C2	H7	109.390
H6	C2	H8	109.390	H7	C2	H8	109.390

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

using model chemistry: CID/6-31G*

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: CID/6-31G*

States and conformations

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