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	hartrees
Energy at 0K	-2638.836541
Energy at 298.15K
HF Energy	-2638.484344
Nuclear repulsion energy	162.415400

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3102	2981	24.45
2	A'	3088	2968	1.56
3	A'	3032	2914	14.86
4	A'	1577	1516	3.05
5	A'	1557	1496	3.20
6	A'	1481	1423	5.83
7	A'	1333	1281	44.79
8	A'	1095	1052	2.80
9	A'	965	927	8.26
10	A'	591	568	10.36
11	A'	292	281	1.72
12	A"	3153	3030	11.48
13	A"	3115	2994	6.67
14	A"	1567	1506	7.89
15	A"	1317	1266	0.48
16	A"	1078	1036	0.03
17	A"	801	770	4.99
18	A"	265	255	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.590	-2.040	0.000
C2	0.620	-1.083	0.000
Br3	0.000	0.799	0.000
H4	1.236	-1.199	0.896
H5	1.236	-1.199	-0.896
H6	-0.236	-3.082	0.000
H7	-1.208	-1.874	0.892
H8	-1.208	-1.874	-0.892

	C1	C2	Br3	H4	H5	H6	H7	H8
C1		1.5435	2.9000	2.2020	2.2020	1.1006	1.0972	1.0972
C2	1.5435		1.9813	1.0940	1.0940	2.1750	2.1820	2.1820
Br3	2.9000	1.9813		2.5146	2.5146	3.8884	3.0653	3.0653
H4	2.2020	1.0940	2.5146		1.7930	2.5531	2.5353	3.1025
H5	2.2020	1.0940	2.5146	1.7930		2.5531	3.1025	2.5353
H6	1.1006	2.1750	3.8884	2.5531	2.5531		1.7889	1.7889
H7	1.0972	2.1820	3.0653	2.5353	3.1025	1.7889		1.7836
H8	1.0972	2.1820	3.0653	3.1025	2.5353	1.7889	1.7836

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	110.103	C1	C2	H4	112.082
C1	C2	H5	112.082	C2	C1	H6	109.547
C2	C1	H7	110.296	C2	C1	H8	110.296
Br3	C2	H4	106.083	Br3	C2	H5	106.083
H4	C2	H5	110.064	H6	C1	H7	108.967
H6	C1	H8	108.967	H7	C1	H8	108.737

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

using model chemistry: QCISD/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: QCISD/3-21G*

States and conformations

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