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	hartrees
Energy at 0K	-2651.444952
Energy at 298.15K
HF Energy	-2651.040681
Nuclear repulsion energy	163.903070

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3220	2975	21.04
2	A'	3195	2952	10.70
3	A'	3133	2895	19.24
4	A'	1532	1415	1.68
5	A'	1524	1409	0.87
6	A'	1453	1342	2.57
7	A'	1330	1229	58.87
8	A'	1122	1037	0.06
9	A'	1017	940	11.14
10	A'	609	563	15.04
11	A'	300	277	1.55
12	A"	3266	3018	12.38
13	A"	3235	2989	6.22
14	A"	1519	1403	7.49
15	A"	1303	1204	0.47
16	A"	1073	991	0.20
17	A"	793	733	3.28
18	A"	277	256	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.574	-2.031	0.000
C2	0.598	-1.066	0.000
Br3	0.000	0.794	0.000
H4	1.224	-1.178	0.891
H5	1.224	-1.178	-0.891
H6	-0.195	-3.064	0.000
H7	-1.200	-1.890	0.890
H8	-1.200	-1.890	-0.890

	C1	C2	Br3	H4	H5	H6	H7	H8
C1		1.5186	2.8824	2.1804	2.1804	1.1001	1.0971	1.0971
C2	1.5186		1.9535	1.0945	1.0945	2.1499	2.1691	2.1691
Br3	2.8824	1.9535		2.4859	2.4859	3.8625	3.0714	3.0714
H4	2.1804	1.0945	2.4859		1.7822	2.5228	2.5261	3.0909
H5	2.1804	1.0945	2.4859	1.7822		2.5228	3.0909	2.5261
H6	1.1001	2.1499	3.8625	2.5228	2.5228		1.7830	1.7830
H7	1.0971	2.1691	3.0714	2.5261	3.0909	1.7830		1.7800
H8	1.0971	2.1691	3.0714	3.0909	2.5261	1.7830	1.7800

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	111.621	C1	C2	H4	112.089
C1	C2	H5	112.089	C2	C1	H6	109.323
C2	C1	H7	111.020	C2	C1	H8	111.020
Br3	C2	H4	105.823	Br3	C2	H5	105.823
H4	C2	H5	109.016	H6	C1	H7	108.488
H6	C1	H8	108.488	H7	C1	H8	108.430

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

using model chemistry: CID/cc-pVDZ

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: CID/cc-pVDZ

States and conformations

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