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	hartrees
Energy at 0K	-2648.972739
Energy at 298.15K
HF Energy	-2648.562719
Nuclear repulsion energy	163.847540

Atom	x (Å)	y (Å)	z (Å)
C1	-0.573	-2.034	0.000
C2	0.597	-1.073	0.000
Br3	0.000	0.796	0.000
H4	1.216	-1.180	0.887
H5	1.216	-1.180	-0.887
H6	-0.193	-3.057	0.000
H7	-1.192	-1.894	0.884
H8	-1.192	-1.894	-0.884

	C1	C2	Br3	H4	H5	H6	H7	H8
C1		1.5138	2.8864	2.1709	2.1709	1.0916	1.0883	1.0883
C2	1.5138		1.9612	1.0866	1.0866	2.1360	2.1581	2.1581
Br3	2.8864	1.9612		2.4836	2.4836	3.8574	3.0718	3.0718
H4	2.1709	1.0866	2.4836		1.7735	2.5088	2.5117	3.0729
H5	2.1709	1.0866	2.4836	1.7735		2.5088	3.0729	2.5117
H6	1.0916	2.1360	3.8574	2.5088	2.5088		1.7697	1.7697
H7	1.0883	2.1581	3.0718	2.5117	3.0729	1.7697		1.7671
H8	1.0883	2.1581	3.0718	3.0729	2.5117	1.7697	1.7671

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	111.680	C1	C2	H4	112.154
C1	C2	H5	112.154	C2	C1	H6	109.069
C2	C1	H7	111.020	C2	C1	H8	111.020
Br3	C2	H4	105.529	Br3	C2	H5	105.529
H4	C2	H5	109.383	H6	C1	H7	108.550
H6	C1	H8	108.550	H7	C1	H8	108.566

All results from a given calculation for C₂H₅Br (Ethyl bromide)

using model chemistry: MP2/6-31+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 C2H5Br (Ethyl bromide)

using model chemistry: MP2/6-31+G**

States and conformations

All results from a given calculation for C₂H₅Br (Ethyl bromide)