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	hartrees
Energy at 0K	-7787.866052
Energy at 298.15K	-7787.878006
HF Energy	-7787.194903
Nuclear repulsion energy	978.429885

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3126	2945	3.94
2	A₁	1474	1389	5.42
3	A₁	1110	1046	2.58
4	A₁	430	405	3.69
5	A₁	229	215	0.04
6	A₂	369	347	0.00
7	E	3226	3040	2.83
7	E	3226	3040	2.83
8	E	1536	1447	4.01
8	E	1536	1447	4.01
9	E	1140	1075	37.56
9	E	1140	1075	37.56
10	E	675	636	58.69
10	E	675	636	58.68
11	E	296	279	0.97
11	E	296	279	0.97
12	E	161	151	0.04
12	E	161	151	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.463
C2	0.000	0.000	1.980
Br3	0.000	1.833	-0.207
Br4	1.587	-0.916	-0.207
Br5	-1.587	-0.916	-0.207
H6	0.000	-1.027	2.341
H7	0.889	0.514	2.341
H8	-0.889	0.514	2.341

	C1	C2	Br3	Br4	Br5	H6	H7	H8
C1		1.5172	1.9513	1.9513	1.9513	2.1408	2.1408	2.1408
C2	1.5172		2.8533	2.8533	2.8533	1.0887	1.0887	1.0887
Br3	1.9513	2.8533		3.1746	3.1746	3.8303	3.0040	3.0040
Br4	1.9513	2.8533	3.1746		3.1746	3.0040	3.0040	3.8303
Br5	1.9513	2.8533	3.1746	3.1746		3.0040	3.8303	3.0040
H6	2.1408	1.0887	3.8303	3.0040	3.0040		1.7790	1.7790
H7	2.1408	1.0887	3.0040	3.0040	3.8303	1.7790		1.7790
H8	2.1408	1.0887	3.0040	3.8303	3.0040	1.7790	1.7790

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.375	C1	C2	H7	109.375
C1	C2	H8	109.375	C2	C1	Br3	110.069
C2	C1	Br4	110.069	C2	C1	Br5	110.069
Br3	C1	Br4	108.867	Br3	C1	Br5	108.867
Br4	C1	Br5	108.867	H6	C2	H7	109.567
H6	C2	H8	109.567	H7	C2	H8	109.567

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

using model chemistry: CCD/6-31+G**

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: CCD/6-31+G**

States and conformations

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