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	hartrees
Energy at 0K	-494.898657
Energy at 298.15K
HF Energy	-494.187820
Nuclear repulsion energy	128.350727

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3128	3128
2	A'	3114	3114
3	A'	3059	3059
4	A'	1517	1517
5	A'	1503	1503
6	A'	1424	1424
7	A'	1295	1295
8	A'	1095	1095
9	A'	993	993
10	A'	592	592
11	A'	288	288
12	A"	3168	3168
13	A"	3133	3133
14	A"	1507	1507
15	A"	1280	1280
16	A"	1046	1046
17	A"	776	776
18	A"	279	279

Atom	x (Å)	y (Å)	z (Å)
C1	-0.573	-2.015	0.000
C2	0.600	-1.064	0.000
Br3	0.000	0.788	0.000
H4	1.216	-1.173	0.884
H5	1.216	-1.173	-0.884
H6	-0.210	-3.043	0.000
H7	-1.191	-1.867	0.881
H8	-1.191	-1.867	-0.881

	C1	C2	Br3	H4	H5	H6	H7	H8
C1		1.5104	2.8613	2.1661	2.1661	1.0901	1.0865	1.0865
C2	1.5104		1.9473	1.0827	1.0827	2.1379	2.1519	2.1519
Br3	2.8613	1.9473		2.4711	2.4711	3.8367	3.0407	3.0407
H4	2.1661	1.0827	2.4711		1.7677	2.5120	2.5053	3.0647
H5	2.1661	1.0827	2.4711	1.7677		2.5120	3.0647	2.5053
H6	1.0901	2.1379	3.8367	2.5120	2.5120		1.7670	1.7670
H7	1.0865	2.1519	3.0407	2.5053	3.0647	1.7670		1.7628
H8	1.0865	2.1519	3.0407	3.0647	2.5053	1.7670	1.7628

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	111.055	C1	C2	H4	112.252
C1	C2	H5	112.252	C2	C1	H6	109.535
C2	C1	H7	110.863	C2	C1	H8	110.863
Br3	C2	H4	105.718	Br3	C2	H5	105.718
H4	C2	H5	109.445	H6	C1	H7	108.544
H6	C1	H8	108.544	H7	C1	H8	108.425

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

using model chemistry: CCSD(T)=FULL/cc-pVTZ-PP

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)=FULL/cc-pVTZ-PP

States and conformations

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