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	hartrees
Energy at 0K	-2651.630386
Energy at 298.15K
HF Energy	-2651.052892
Nuclear repulsion energy	163.941638

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3115	3074
2	A'	3094	3053
3	A'	3037	2997
4	A'	1511	1491
5	A'	1498	1478
6	A'	1421	1402
7	A'	1289	1272
8	A'	1087	1073
9	A'	985	972
10	A'	586	579
11	A'	289	285
12	A"	3161	3120
13	A"	3129	3088
14	A"	1499	1480
15	A"	1271	1254
16	A"	1045	1031
17	A"	772	762
18	A"	264	261

Atom	x (Å)	y (Å)	z (Å)
C1	-0.576	-2.027	0.000
C2	0.602	-1.071	0.000
Br3	0.000	0.793	0.000
H4	1.222	-1.180	0.888
H5	1.222	-1.180	-0.888
H6	-0.208	-3.058	0.000
H7	-1.197	-1.881	0.885
H8	-1.197	-1.881	-0.885

	C1	C2	Br3	H4	H5	H6	H7	H8
C1		1.5178	2.8791	2.1772	2.1772	1.0943	1.0908	1.0908
C2	1.5178		1.9593	1.0883	1.0883	2.1460	2.1628	2.1628
Br3	2.8791	1.9593		2.4851	2.4851	3.8571	3.0612	3.0612
H4	2.1772	1.0883	2.4851		1.7762	2.5221	2.5185	3.0801
H5	2.1772	1.0883	2.4851	1.7762		2.5221	3.0801	2.5185
H6	1.0943	2.1460	3.8571	2.5221	2.5221		1.7734	1.7734
H7	1.0908	2.1628	3.0612	2.5185	3.0801	1.7734		1.7699
H8	1.0908	2.1628	3.0612	3.0801	2.5185	1.7734	1.7699

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	111.157	C1	C2	H4	112.270
C1	C2	H5	112.270	C2	C1	H6	109.410
C2	C1	H7	110.949	C2	C1	H8	110.949
Br3	C2	H4	105.676	Br3	C2	H5	105.676
H4	C2	H5	109.384	H6	C1	H7	108.508
H6	C1	H8	108.508	H7	C1	H8	108.448

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

using model chemistry: CCSD(T)/6-311+G(3df,2p)

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: CCSD(T)/6-311+G(3df,2p)

States and conformations

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