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	hartrees
Energy at 0K	-7787.864332
Energy at 298.15K	-7787.876204
HF Energy	-7787.133849
Nuclear repulsion energy	977.723459

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3123	2930	2.03
2	A₁	1480	1389	9.14
3	A₁	1116	1048	3.82
4	A₁	428	401	5.13
5	A₁	228	214	0.08
6	A₂	332	311	0.00
7	E	3216	3017	1.79
7	E	3216	3017	1.79
8	E	1540	1445	4.70
8	E	1540	1445	4.70
9	E	1139	1069	42.96
9	E	1139	1069	42.95
10	E	669	628	63.83
10	E	669	628	63.83
11	E	289	271	1.28
11	E	289	271	1.28
12	E	162	152	0.05
12	E	162	152	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.459
C2	0.000	0.000	1.975
Br3	0.000	1.840	-0.206
Br4	1.593	-0.920	-0.206
Br5	-1.593	-0.920	-0.206
H6	0.000	-1.030	2.338
H7	0.892	0.515	2.338
H8	-0.892	0.515	2.338

	C1	C2	Br3	Br4	Br5	H6	H7	H8
C1		1.5166	1.9561	1.9561	1.9561	2.1433	2.1433	2.1433
C2	1.5166		2.8535	2.8535	2.8535	1.0922	1.0922	1.0922
Br3	1.9561	2.8535		3.1866	3.1866	3.8352	3.0039	3.0039
Br4	1.9561	2.8535	3.1866		3.1866	3.0039	3.0039	3.8352
Br5	1.9561	2.8535	3.1866	3.1866		3.0039	3.8352	3.0039
H6	2.1433	1.0922	3.8352	3.0039	3.0039		1.7843	1.7843
H7	2.1433	1.0922	3.0039	3.0039	3.8352	1.7843		1.7843
H8	2.1433	1.0922	3.0039	3.8352	3.0039	1.7843	1.7843

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.407	C1	C2	H7	109.407
C1	C2	H8	109.407	C2	C1	Br3	109.862
C2	C1	Br4	109.862	C2	C1	Br5	109.862
Br3	C1	Br4	109.078	Br3	C1	Br5	109.078
Br4	C1	Br5	109.078	H6	C2	H7	109.536
H6	C2	H8	109.536	H7	C2	H8	109.535

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31G*

States and conformations

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