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	hartrees
Energy at 0K	-2651.785575
Energy at 298.15K
HF Energy	-2651.097908
Nuclear repulsion energy	164.298205

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3120	3120
2	A'	3103	3103
3	A'	3043	3043
4	A'	1503	1503
5	A'	1488	1488
6	A'	1417	1417
7	A'	1288	1288
8	A'	1085	1085
9	A'	983	983
10	A'	592	592
11	A'	288	288
12	A"	3169	3169
13	A"	3132	3132
14	A"	1492	1492
15	A"	1272	1272
16	A"	1041	1041
17	A"	769	769
18	A"	260	260

Atom	x (Å)	y (Å)	z (Å)
C1	-0.575	-2.024	0.000
C2	0.601	-1.067	0.000
Br3	0.000	0.791	0.000
H4	1.220	-1.174	0.887
H5	1.220	-1.174	-0.887
H6	-0.206	-3.053	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	2.8739	2.1755	2.1755	1.0933	1.0901	1.0901
C2	1.5170		1.9531	1.0868	1.0868	2.1445	2.1606	2.1606
Br3	2.8739	1.9531		2.4779	2.4779	3.8503	3.0554	3.0554
H4	2.1755	1.0868	2.4779		1.7737	2.5204	2.5161	3.0770
H5	2.1755	1.0868	2.4779	1.7737		2.5204	3.0770	2.5161
H6	1.0933	2.1445	3.8503	2.5204	2.5204		1.7728	1.7728
H7	1.0901	2.1606	3.0554	2.5161	3.0770	1.7728		1.7687
H8	1.0901	2.1606	3.0554	3.0770	2.5161	1.7728	1.7687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	111.205	C1	C2	H4	112.285
C1	C2	H5	112.285	C2	C1	H6	109.412
C2	C1	H7	110.882	C2	C1	H8	110.882
Br3	C2	H4	105.637	Br3	C2	H5	105.637
H4	C2	H5	109.376	H6	C1	H7	108.581
H6	C1	H8	108.581	H7	C1	H8	108.440

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

using model chemistry: CCSD(T)/Def2TZVPP

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: CCSD(T)/Def2TZVPP

States and conformations

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