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	hartrees
Energy at 0K	-2651.783962
Energy at 298.15K
HF Energy	-2651.142527
Nuclear repulsion energy	164.249046

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3117	2956
2	A'	3100	2941
3	A'	3039	2883
4	A'	1504	1427
5	A'	1488	1412
6	A'	1414	1341
7	A'	1286	1220
8	A'	1086	1030
9	A'	983	933
10	A'	588	558
11	A'	287	272
12	A"	3166	3003
13	A"	3129	2968
14	A"	1493	1416
15	A"	1271	1205
16	A"	1039	985
17	A"	770	731
18	A"	263	250

Atom	x (Å)	y (Å)	z (Å)
C1	-0.576	-2.024	0.000
C2	0.602	-1.067	0.000
Br3	0.000	0.792	0.000
H4	1.221	-1.176	0.887
H5	1.221	-1.176	-0.887
H6	-0.208	-3.054	0.000
H7	-1.196	-1.878	0.884
H8	-1.196	-1.878	-0.884

	C1	C2	Br3	H4	H5	H6	H7	H8
C1		1.5170	2.8738	2.1754	2.1754	1.0935	1.0903	1.0903
C2	1.5170		1.9540	1.0871	1.0871	2.1451	2.1615	2.1615
Br3	2.8738	1.9540		2.4801	2.4801	3.8511	3.0558	3.0558
H4	2.1754	1.0871	2.4801		1.7738	2.5205	2.5170	3.0777
H5	2.1754	1.0871	2.4801	1.7738		2.5205	3.0777	2.5170
H6	1.0935	2.1451	3.8511	2.5205	2.5205		1.7727	1.7727
H7	1.0903	2.1615	3.0558	2.5170	3.0777	1.7727		1.7687
H8	1.0903	2.1615	3.0558	3.0777	2.5170	1.7727	1.7687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	111.152	C1	C2	H4	112.260
C1	C2	H5	112.260	C2	C1	H6	109.445
C2	C1	H7	110.931	C2	C1	H8	110.931
Br3	C2	H4	105.715	Br3	C2	H5	105.715
H4	C2	H5	109.336	H6	C1	H7	108.534
H6	C1	H8	108.534	H7	C1	H8	108.399

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

using model chemistry: QCISD(T)/cc-pVTZ

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(T)/cc-pVTZ

States and conformations

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