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	hartrees
Energy at 0K	-2651.764244
Energy at 298.15K
HF Energy	-2651.089540
Nuclear repulsion energy	163.400328

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3130	2992
2	A'	3116	2979
3	A'	3049	2915
4	A'	1508	1442
5	A'	1498	1432
6	A'	1440	1376
7	A'	1316	1258
8	A'	1094	1046
9	A'	988	945
10	A'	579	553
11	A'	289	276
12	A"	3188	3047
13	A"	3144	3006
14	A"	1499	1433
15	A"	1281	1225
16	A"	1051	1005
17	A"	780	745
18	A"	276	264

Atom	x (Å)	y (Å)	z (Å)
C1	-0.575	-2.035	0.000
C2	0.602	-1.079	0.000
Br3	0.000	0.797	0.000
H4	1.219	-1.188	0.889
H5	1.219	-1.188	-0.889
H6	-0.203	-3.064	0.000
H7	-1.196	-1.891	0.885
H8	-1.196	-1.891	-0.885

	C1	C2	Br3	H4	H5	H6	H7	H8
C1		1.5165	2.8904	2.1740	2.1740	1.0943	1.0909	1.0909
C2	1.5165		1.9701	1.0873	1.0873	2.1426	2.1623	2.1623
Br3	2.8904	1.9701		2.4931	2.4931	3.8670	3.0725	3.0725
H4	2.1740	1.0873	2.4931		1.7770	2.5166	2.5154	3.0778
H5	2.1740	1.0873	2.4931	1.7770		2.5166	3.0778	2.5154
H6	1.0943	2.1426	3.8670	2.5166	2.5166		1.7741	1.7741
H7	1.0909	2.1623	3.0725	2.5154	3.0778	1.7741		1.7700
H8	1.0909	2.1623	3.0725	3.0778	2.5154	1.7741	1.7700

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	111.326	C1	C2	H4	112.159
C1	C2	H5	112.159	C2	C1	H6	109.234
C2	C1	H7	110.995	C2	C1	H8	110.995
Br3	C2	H4	105.597	Br3	C2	H5	105.597
H4	C2	H5	109.601	H6	C1	H7	108.555
H6	C1	H8	108.555	H7	C1	H8	108.439

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

using model chemistry: CCSD(T)=FULL/TZVP

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)=FULL/TZVP

States and conformations

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