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	hartrees
Energy at 0K	-7787.801617
Energy at 298.15K
HF Energy	-7787.138804
Nuclear repulsion energy	975.332706

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.456
C2	0.000	0.000	1.974
Br3	0.000	1.847	-0.206
Br4	1.600	-0.924	-0.206
Br5	-1.600	-0.924	-0.206
H6	0.000	-1.026	2.334
H7	0.888	0.513	2.334
H8	-0.888	0.513	2.334

	C1	C2	Br3	Br4	Br5	H6	H7	H8
C1		1.5179	1.9624	1.9624	1.9624	2.1396	2.1396	2.1396
C2	1.5179		2.8574	2.8574	2.8574	1.0868	1.0868	1.0868
Br3	1.9624	2.8574		3.1997	3.1997	3.8346	3.0034	3.0034
Br4	1.9624	2.8574	3.1997		3.1997	3.0034	3.0034	3.8346
Br5	1.9624	2.8574	3.1997	3.1997		3.0034	3.8346	3.0034
H6	2.1396	1.0868	3.8346	3.0034	3.0034		1.7763	1.7763
H7	2.1396	1.0868	3.0034	3.0034	3.8346	1.7763		1.7763
H8	2.1396	1.0868	3.0034	3.8346	3.0034	1.7763	1.7763

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.334	C1	C2	H7	109.334
C1	C2	H8	109.334	C2	C1	Br3	109.717
C2	C1	Br4	109.717	C2	C1	Br5	109.717
Br3	C1	Br4	109.224	Br3	C1	Br5	109.224
Br4	C1	Br5	109.224	H6	C2	H7	109.608
H6	C2	H8	109.608	H7	C2	H8	109.608

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

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

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