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	hartrees
Energy at 0K	-7795.370907
Energy at 298.15K	-7795.382733
HF Energy	-7794.635312
Nuclear repulsion energy	976.567352

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3070	2944	2.35
2	A₁	1388	1331	7.08
3	A₁	1090	1046	4.26
4	A₁	424	407	3.34
5	A₁	223	214	0.02
6	A₂	319	306	0.00
7	E	3180	3050	2.01
7	E	3180	3050	2.01
8	E	1464	1404	3.54
8	E	1464	1404	3.54
9	E	1078	1034	40.94
9	E	1078	1034	40.94
10	E	660	633	62.14
10	E	660	633	62.14
11	E	286	274	1.21
11	E	286	274	1.21
12	E	155	149	0.01
12	E	155	149	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.457
C2	0.000	0.000	1.979
Br3	0.000	1.837	-0.206
Br4	1.591	-0.919	-0.206
Br5	-1.591	-0.919	-0.206
H6	0.000	-1.038	2.342
H7	0.899	0.519	2.342
H8	-0.899	0.519	2.342

	C1	C2	Br3	Br4	Br5	H6	H7	H8
C1		1.5215	1.9532	1.9532	1.9532	2.1518	2.1518	2.1518
C2	1.5215		2.8547	2.8547	2.8547	1.1000	1.1000	1.1000
Br3	1.9532	2.8547		3.1819	3.1819	3.8420	3.0064	3.0064
Br4	1.9532	2.8547	3.1819		3.1819	3.0064	3.0064	3.8420
Br5	1.9532	2.8547	3.1819	3.1819		3.0064	3.8420	3.0064
H6	2.1518	1.1000	3.8420	3.0064	3.0064		1.7985	1.7985
H7	2.1518	1.1000	3.0064	3.0064	3.8420	1.7985		1.7985
H8	2.1518	1.1000	3.0064	3.8420	3.0064	1.7985	1.7985

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.277	C1	C2	H7	109.277
C1	C2	H8	109.277	C2	C1	Br3	109.858
C2	C1	Br4	109.858	C2	C1	Br5	109.858
Br3	C1	Br4	109.082	Br3	C1	Br5	109.082
Br4	C1	Br5	109.082	H6	C2	H7	109.665
H6	C2	H8	109.665	H7	C2	H8	109.665

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

using model chemistry: MP2/aug-cc-pVDZ

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: MP2/aug-cc-pVDZ

States and conformations

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