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	hartrees
Energy at 0K	-7795.756815
Energy at 298.15K	-7795.768561
HF Energy	-7794.718562
Nuclear repulsion energy	970.530640

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3065	2952
2	A₁	1434	1381
3	A₁	1070	1030
4	A₁	409	394
5	A₁	214	207
6	A₂	322	310
7	E	3163	3045
7	E	3162	3045
8	E	1485	1430
8	E	1485	1430
9	E	1108	1067
9	E	1108	1067
10	E	638	614
10	E	638	614
11	E	280	270
11	E	279	268
12	E	149	143
12	E	149	143

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.453
C2	0.000	0.000	1.972
Br3	0.000	1.852	-0.205
Br4	1.604	-0.926	-0.205
Br5	-1.604	-0.926	-0.205
H6	0.000	-1.029	2.336
H7	0.891	0.515	2.336
H8	-0.891	0.515	2.336

	C1	C2	Br3	Br4	Br5	H6	H7	H8
C1		1.5189	1.9656	1.9656	1.9656	2.1453	2.1453	2.1453
C2	1.5189		2.8586	2.8586	2.8586	1.0914	1.0914	1.0914
Br3	1.9656	2.8586		3.2077	3.2077	3.8415	3.0066	3.0066
Br4	1.9656	2.8586	3.2077		3.2077	3.0066	3.0066	3.8415
Br5	1.9656	2.8586	3.2077	3.2077		3.0066	3.8415	3.0066
H6	2.1453	1.0914	3.8415	3.0066	3.0066		1.7824	1.7824
H7	2.1453	1.0914	3.0066	3.0066	3.8415	1.7824		1.7824
H8	2.1453	1.0914	3.0066	3.8415	3.0066	1.7824	1.7824

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.450	C1	C2	H7	109.450
C1	C2	H8	109.450	C2	C1	Br3	109.579
C2	C1	Br4	109.579	C2	C1	Br5	109.579
Br3	C1	Br4	109.363	Br3	C1	Br5	109.363
Br4	C1	Br5	109.363	H6	C2	H7	109.492
H6	C2	H8	109.492	H7	C2	H8	109.492

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

using model chemistry: MP4/TZVP

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: MP4/TZVP

States and conformations

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