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	hartrees
Energy at 0K	-2651.423696
Energy at 298.15K
HF Energy	-2651.033849
Nuclear repulsion energy	164.157895

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3194	2955	34.48
2	A'	3181	2943	2.53
3	A'	3116	2883	20.91
4	A'	1563	1446	3.31
5	A'	1555	1439	1.75
6	A'	1485	1374	6.72
7	A'	1360	1259	60.43
8	A'	1129	1044	0.47
9	A'	1020	944	12.54
10	A'	605	560	16.20
11	A'	302	279	1.63
12	A"	3248	3006	14.02
13	A"	3208	2968	10.20
14	A"	1553	1437	10.18
15	A"	1325	1226	0.88
16	A"	1097	1015	0.58
17	A"	803	743	4.52
18	A"	277	256	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.573	-2.029	0.000
C2	0.598	-1.067	0.000
Br3	0.000	0.793	0.000
H4	1.218	-1.179	0.884
H5	1.218	-1.179	-0.884
H6	-0.199	-3.055	0.000
H7	-1.195	-1.891	0.882
H8	-1.195	-1.891	-0.882

	C1	C2	Br3	H4	H5	H6	H7	H8
C1		1.5159	2.8799	2.1707	2.1707	1.0918	1.0884	1.0884
C2	1.5159		1.9541	1.0852	1.0852	2.1419	2.1620	2.1620
Br3	2.8799	1.9541		2.4806	2.4806	3.8533	3.0680	3.0680
H4	2.1707	1.0852	2.4806		1.7679	2.5117	2.5160	3.0741
H5	2.1707	1.0852	2.4806	1.7679		2.5117	3.0741	2.5160
H6	1.0918	2.1419	3.8533	2.5117	2.5117		1.7679	1.7679
H7	1.0884	2.1620	3.0680	2.5160	3.0741	1.7679		1.7649
H8	1.0884	2.1620	3.0680	3.0741	2.5160	1.7679	1.7649

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	111.564	C1	C2	H4	112.073
C1	C2	H5	112.073	C2	C1	H6	109.363
C2	C1	H7	111.170	C2	C1	H8	111.170
Br3	C2	H4	105.836	Br3	C2	H5	105.836
H4	C2	H5	109.084	H6	C1	H7	108.357
H6	C1	H8	108.357	H7	C1	H8	108.337

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

using model chemistry: CISD/6-311G*

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: CISD/6-311G*

States and conformations

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