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	hartrees
Energy at 0K	-2638.502600
Energy at 298.15K
HF Energy	-2638.271318
Nuclear repulsion energy	161.123214

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3176	2959	22.64
2	A'	3158	2942	3.63
3	A'	3096	2884	13.96
4	A'	1602	1493	3.64
5	A'	1576	1468	4.81
6	A'	1513	1409	5.92
7	A'	1365	1272	50.76
8	A'	1114	1037	3.05
9	A'	1002	933	10.41
10	A'	584	544	10.62
11	A'	294	273	1.56
12	A"	3235	3013	11.32
13	A"	3178	2961	9.73
14	A"	1593	1484	7.79
15	A"	1349	1256	0.64
16	A"	1092	1018	0.01
17	A"	806	751	6.22
18	A"	265	247	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.583	-2.065	0.000
C2	0.611	-1.104	0.000
Br3	0.000	0.811	0.000
H4	1.225	-1.218	0.890
H5	1.225	-1.218	-0.890
H6	-0.217	-3.098	0.000
H7	-1.202	-1.912	0.887
H8	-1.202	-1.912	-0.887

	C1	C2	Br3	H4	H5	H6	H7	H8
C1		1.5326	2.9340	2.1860	2.1860	1.0960	1.0926	1.0926
C2	1.5326		2.0092	1.0877	1.0877	2.1599	2.1736	2.1736
Br3	2.9340	2.0092		2.5314	2.5314	3.9150	3.1049	3.1049
H4	2.1860	1.0877	2.5314		1.7807	2.5318	2.5240	3.0870
H5	2.1860	1.0877	2.5314	1.7807		2.5318	3.0870	2.5240
H6	1.0960	2.1599	3.9150	2.5318	2.5318		1.7789	1.7789
H7	1.0926	2.1736	3.1049	2.5240	3.0870	1.7789		1.7742
H8	1.0926	2.1736	3.1049	3.0870	2.5240	1.7789	1.7742

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	111.160	C1	C2	H4	111.958
C1	C2	H5	111.958	C2	C1	H6	109.390
C2	C1	H7	110.673	C2	C1	H8	110.673
Br3	C2	H4	105.768	Br3	C2	H5	105.768
H4	C2	H5	109.873	H6	C1	H7	108.743
H6	C1	H8	108.743	H7	C1	H8	108.571

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

using model chemistry: CID/3-21G

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/3-21G

States and conformations

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