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	hartrees
Energy at 0K	-7787.014143
Energy at 298.15K	-7787.025865
HF Energy	-7786.711553
Nuclear repulsion energy	955.668876

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3084	2951	4.49
2	A₁	1511	1445	10.01
3	A₁	1106	1058	6.89
4	A₁	395	378	6.18
5	A₁	212	203	0.05
6	A₂	324	310	0.00
7	E	3182	3044	4.17
7	E	3182	3044	4.17
8	E	1550	1483	5.58
8	E	1550	1483	5.58
9	E	1165	1115	47.65
9	E	1165	1115	47.65
10	E	627	600	67.57
10	E	627	600	67.57
11	E	281	269	0.85
11	E	281	269	0.85
12	E	147	140	0.08
12	E	147	140	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.472
C2	0.000	0.000	1.992
Br3	0.000	1.882	-0.208
Br4	1.630	-0.941	-0.208
Br5	-1.630	-0.941	-0.208
H6	0.000	-1.031	2.366
H7	0.893	0.515	2.366
H8	-0.893	0.515	2.366

	C1	C2	Br3	Br4	Br5	H6	H7	H8
C1		1.5201	2.0011	2.0011	2.0011	2.1563	2.1563	2.1563
C2	1.5201		2.8955	2.8955	2.8955	1.0964	1.0964	1.0964
Br3	2.0011	2.8955		3.2594	3.2594	3.8873	3.0483	3.0483
Br4	2.0011	2.8955	3.2594		3.2594	3.0483	3.0483	3.8873
Br5	2.0011	2.8955	3.2594	3.2594		3.0483	3.8873	3.0483
H6	2.1563	1.0964	3.8873	3.0483	3.0483		1.7852	1.7852
H7	2.1563	1.0964	3.0483	3.0483	3.8873	1.7852		1.7852
H8	2.1563	1.0964	3.0483	3.8873	3.0483	1.7852	1.7852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.944	C1	C2	H7	109.944
C1	C2	H8	109.944	C2	C1	Br3	109.881
C2	C1	Br4	109.881	C2	C1	Br5	109.881
Br3	C1	Br4	109.058	Br3	C1	Br5	109.058
Br4	C1	Br5	109.058	H6	C2	H7	108.994
H6	C2	H8	108.994	H7	C2	H8	108.994

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

using model chemistry: MP2/6-31G

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: MP2/6-31G

States and conformations

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