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	hartrees
Energy at 0K	-2638.797353
Energy at 298.15K
HF Energy	-2638.485076
Nuclear repulsion energy	163.229202

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3182	2961	24.25
2	A'	3170	2949	0.45
3	A'	3110	2894	14.33
4	A'	1610	1498	3.46
5	A'	1591	1480	3.80
6	A'	1517	1412	6.86
7	A'	1369	1274	47.63
8	A'	1124	1046	3.26
9	A'	994	925	9.17
10	A'	611	569	12.45
11	A'	299	279	1.82
12	A"	3236	3011	9.59
13	A"	3195	2973	6.66
14	A"	1600	1489	8.85
15	A"	1349	1255	0.53
16	A"	1106	1029	0.02
17	A"	820	763	5.51
18	A"	271	252	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	-0.586	-2.032	0.000
C2	0.615	-1.076	0.000
Br3	0.000	0.796	0.000
H4	1.229	-1.192	0.891
H5	1.229	-1.192	-0.891
H6	-0.231	-3.068	0.000
H7	-1.201	-1.870	0.887
H8	-1.201	-1.870	-0.887

	C1	C2	Br3	H4	H5	H6	H7	H8
C1		1.5354	2.8878	2.1894	2.1894	1.0948	1.0912	1.0912
C2	1.5354		1.9704	1.0878	1.0878	2.1636	2.1714	2.1714
Br3	2.8878	1.9704		2.5009	2.5009	3.8701	3.0548	3.0548
H4	2.1894	1.0878	2.5009		1.7816	2.5381	2.5226	3.0859
H5	2.1894	1.0878	2.5009	1.7816		2.5381	3.0859	2.5226
H6	1.0948	2.1636	3.8701	2.5381	2.5381		1.7784	1.7784
H7	1.0912	2.1714	3.0548	2.5226	3.0859	1.7784		1.7734
H8	1.0912	2.1714	3.0548	3.0859	2.5226	1.7784	1.7734

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	110.302	C1	C2	H4	112.031
C1	C2	H5	112.031	C2	C1	H6	109.559
C2	C1	H7	110.382	C2	C1	H8	110.382
Br3	C2	H4	106.096	Br3	C2	H5	106.096
H4	C2	H5	109.952	H6	C1	H7	108.893
H6	C1	H8	108.893	H7	C1	H8	108.697

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)