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	hartrees
Energy at 0K	-2648.952548
Energy at 298.15K	-2648.960819
HF Energy	-2648.538577
Nuclear repulsion energy	163.079126

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3150	3000	24.80
2	A'	3135	2986	4.30
3	A'	3071	2924	17.80
4	A'	1548	1474	2.55
5	A'	1540	1466	1.05
6	A'	1466	1396	5.09
7	A'	1322	1259	56.38
8	A'	1114	1061	0.18
9	A'	1007	959	10.76
10	A'	578	550	14.54
11	A'	296	282	1.99
12	A"	3204	3051	11.18
13	A"	3167	3016	8.05
14	A"	1537	1463	7.95
15	A"	1302	1240	0.41
16	A"	1064	1013	0.15
17	A"	790	752	3.58
18	A"	270	257	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.578	-2.039	0.000
C2	0.605	-1.085	0.000
Br3	0.000	0.799	0.000
H4	1.225	-1.191	0.892
H5	1.225	-1.191	-0.892
H6	-0.212	-3.075	0.000
H7	-1.200	-1.889	0.889
H8	-1.200	-1.889	-0.889

	C1	C2	Br3	H4	H5	H6	H7	H8
C1		1.5195	2.8965	2.1830	2.1830	1.0988	1.0953	1.0953
C2	1.5195		1.9786	1.0921	1.0921	2.1513	2.1665	2.1665
Br3	2.8965	1.9786		2.5022	2.5022	3.8801	3.0750	3.0750
H4	2.1830	1.0921	2.5022		1.7841	2.5316	2.5238	3.0888
H5	2.1830	1.0921	2.5022	1.7841		2.5316	3.0888	2.5238
H6	1.0988	2.1513	3.8801	2.5316	2.5316		1.7815	1.7815
H7	1.0953	2.1665	3.0750	2.5238	3.0888	1.7815		1.7773
H8	1.0953	2.1665	3.0750	3.0888	2.5238	1.7815	1.7773

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	111.112	C1	C2	H4	112.390
C1	C2	H5	112.390	C2	C1	H6	109.450
C2	C1	H7	110.858	C2	C1	H8	110.858
Br3	C2	H4	105.480	Br3	C2	H5	105.480
H4	C2	H5	109.545	H6	C1	H7	108.577
H6	C1	H8	108.577	H7	C1	H8	108.459

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

using model chemistry: QCISD/6-31G*

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: QCISD/6-31G*

States and conformations

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