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	hartrees
Energy at 0K	-7787.811508
Energy at 298.15K	-7787.823329
HF Energy	-7787.138658
Nuclear repulsion energy	974.106092

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3125	2942	4.18
2	A₁	1464	1378	3.93
3	A₁	1104	1039	3.57
4	A₁	419	395	4.81
5	A₁	225	212	0.07
6	A₂	320	301	0.00
7	E	3225	3036	3.66
7	E	3225	3036	3.66
8	E	1536	1446	2.98
8	E	1536	1446	2.98
9	E	1128	1062	40.00
9	E	1128	1062	40.00
10	E	656	618	66.99
10	E	656	618	66.98
11	E	283	266	1.07
11	E	283	266	1.07
12	E	159	150	0.04
12	E	159	150	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.463
C2	0.000	0.000	1.982
Br3	0.000	1.842	-0.207
Br4	1.595	-0.921	-0.207
Br5	-1.595	-0.921	-0.207
H6	0.000	-1.027	2.343
H7	0.889	0.514	2.343
H8	-0.889	0.514	2.343

	C1	C2	Br3	Br4	Br5	H6	H7	H8
C1		1.5189	1.9602	1.9602	1.9602	2.1420	2.1420	2.1420
C2	1.5189		2.8606	2.8606	2.8606	1.0886	1.0886	1.0886
Br3	1.9602	2.8606		3.1910	3.1910	3.8382	3.0092	3.0092
Br4	1.9602	2.8606	3.1910		3.1910	3.0092	3.0092	3.8382
Br5	1.9602	2.8606	3.1910	3.1910		3.0092	3.8382	3.0092
H6	2.1420	1.0886	3.8382	3.0092	3.0092		1.7790	1.7790
H7	2.1420	1.0886	3.0092	3.0092	3.8382	1.7790		1.7790
H8	2.1420	1.0886	3.0092	3.8382	3.0092	1.7790	1.7790

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.357	C1	C2	H7	109.357
C1	C2	H8	109.357	C2	C1	Br3	109.971
C2	C1	Br4	109.971	C2	C1	Br5	109.971
Br3	C1	Br4	108.967	Br3	C1	Br5	108.967
Br4	C1	Br5	108.967	H6	C2	H7	109.585
H6	C2	H8	109.585	H7	C2	H8	109.585

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

using model chemistry: QCISD/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: QCISD/6-31G**

States and conformations

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