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	hartrees
Energy at 0K	-7795.339455
Energy at 298.15K	-7795.351248
HF Energy	-7794.585289
Nuclear repulsion energy	970.387117

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	3058	2965
2	A₁	1426	1383
3	A₁	1075	1042
4	A₁	413	400
5	A₁	218	211
6	A₂	336	326
7	E	3154	3059
7	E	3154	3059
8	E	1484	1439
8	E	1483	1438
9	E	1102	1069
9	E	1102	1068
10	E	641	621
10	E	641	621
11	E	284	276
11	E	283	274
12	E	152	147
12	E	152	147

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.449
C2	0.000	0.000	1.973
Br3	0.000	1.852	-0.205
Br4	1.604	-0.926	-0.205
Br5	-1.604	-0.926	-0.205
H6	0.000	-1.033	2.338
H7	0.894	0.516	2.338
H8	-0.894	0.516	2.338

	C1	C2	Br3	Br4	Br5	H6	H7	H8
C1		1.5248	1.9642	1.9642	1.9642	2.1530	2.1530	2.1530
C2	1.5248		2.8595	2.8595	2.8595	1.0950	1.0950	1.0950
Br3	1.9642	2.8595		3.2081	3.2081	3.8457	3.0086	3.0086
Br4	1.9642	2.8595	3.2081		3.2081	3.0086	3.0086	3.8457
Br5	1.9642	2.8595	3.2081	3.2081		3.0086	3.8457	3.0086
H6	2.1530	1.0950	3.8457	3.0086	3.0086		1.7884	1.7884
H7	2.1530	1.0950	3.0086	3.0086	3.8457	1.7884		1.7884
H8	2.1530	1.0950	3.0086	3.8457	3.0086	1.7884	1.7884

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.445	C1	C2	H7	109.445
C1	C2	H8	109.445	C2	C1	Br3	109.442
C2	C1	Br4	109.442	C2	C1	Br5	109.442
Br3	C1	Br4	109.501	Br3	C1	Br5	109.501
Br4	C1	Br5	109.501	H6	C2	H7	109.498
H6	C2	H8	109.498	H7	C2	H8	109.497

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

using model chemistry: MP4/6-311G**

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: MP4/6-311G**

States and conformations

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