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	hartrees
Energy at 0K	-2648.945283
Energy at 298.15K
HF Energy	-2648.538811
Nuclear repulsion energy	163.398671

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3188	2992	20.42
2	A'	3173	2978	3.86
3	A'	3107	2916	15.16
4	A'	1559	1463	2.98
5	A'	1551	1456	1.11
6	A'	1476	1385	5.95
7	A'	1334	1252	54.93
8	A'	1122	1054	0.25
9	A'	1014	952	11.22
10	A'	589	553	13.73
11	A'	299	280	1.99
12	A"	3243	3044	8.68
13	A"	3205	3008	6.96
14	A"	1547	1452	8.72
15	A"	1312	1231	0.45
16	A"	1073	1007	0.14
17	A"	795	746	3.91
18	A"	273	256	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.578	-2.032	0.000
C2	0.605	-1.080	0.000
Br3	0.000	0.796	0.000
H4	1.224	-1.185	0.890
H5	1.224	-1.185	-0.890
H6	-0.213	-3.065	0.000
H7	-1.198	-1.881	0.886
H8	-1.198	-1.881	-0.886

	C1	C2	Br3	H4	H5	H6	H7	H8
C1		1.5173	2.8863	2.1805	2.1805	1.0959	1.0925	1.0925
C2	1.5173		1.9717	1.0891	1.0891	2.1467	2.1625	2.1625
Br3	2.8863	1.9717		2.4926	2.4926	3.8674	3.0641	3.0641
H4	2.1805	1.0891	2.4926		1.7796	2.5287	2.5203	3.0832
H5	2.1805	1.0891	2.4926	1.7796		2.5287	3.0832	2.5203
H6	1.0959	2.1467	3.8674	2.5287	2.5287		1.7772	1.7772
H7	1.0925	2.1625	3.0641	2.5203	3.0832	1.7772		1.7725
H8	1.0925	2.1625	3.0641	3.0832	2.5203	1.7772	1.7725

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	110.966	C1	C2	H4	112.527
C1	C2	H5	112.527	C2	C1	H6	109.407
C2	C1	H7	110.864	C2	C1	H8	110.864
Br3	C2	H4	105.384	Br3	C2	H5	105.384
H4	C2	H5	109.576	H6	C1	H7	108.606
H6	C1	H8	108.606	H7	C1	H8	108.432

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

using model chemistry: MP3/6-31G*

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: MP3/6-31G*

States and conformations

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