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	hartrees
Energy at 0K	-2651.488726
Energy at 298.15K
HF Energy	-2651.033305
Nuclear repulsion energy	163.258672

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3105	2989
2	A'	3087	2972
3	A'	3027	2914
4	A'	1520	1463
5	A'	1508	1452
6	A'	1441	1388
7	A'	1315	1266
8	A'	1097	1056
9	A'	991	954
10	A'	579	557
11	A'	292	281
12	A"	3154	3036
13	A"	3120	3004
14	A"	1510	1453
15	A"	1285	1237
16	A"	1061	1022
17	A"	780	751
18	A"	274	263

Atom	x (Å)	y (Å)	z (Å)
C1	-0.577	-2.036	0.000
C2	0.603	-1.076	0.000
Br3	0.000	0.797	0.000
H4	1.226	-1.189	0.891
H5	1.226	-1.189	-0.891
H6	-0.206	-3.071	0.000
H7	-1.202	-1.892	0.888
H8	-1.202	-1.892	-0.888

	C1	C2	Br3	H4	H5	H6	H7	H8
C1		1.5214	2.8911	2.1822	2.1822	1.0993	1.0956	1.0956
C2	1.5214		1.9677	1.0930	1.0930	2.1528	2.1709	2.1709
Br3	2.8911	1.9677		2.4981	2.4981	3.8733	3.0762	3.0762
H4	2.1822	1.0930	2.4981		1.7824	2.5272	2.5273	3.0910
H5	2.1822	1.0930	2.4981	1.7824		2.5272	3.0910	2.5273
H6	1.0993	2.1528	3.8733	2.5272	2.5272		1.7806	1.7806
H7	1.0956	2.1709	3.0762	2.5273	3.0910	1.7806		1.7768
H8	1.0956	2.1709	3.0762	3.0910	2.5273	1.7806	1.7768

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	111.272	C1	C2	H4	112.131
C1	C2	H5	112.131	C2	C1	H6	109.408
C2	C1	H7	111.059	C2	C1	H8	111.059
Br3	C2	H4	105.839	Br3	C2	H5	105.839
H4	C2	H5	109.252	H6	C1	H7	108.436
H6	C1	H8	108.436	H7	C1	H8	108.366

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

using model chemistry: CCSD(T)/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: CCSD(T)/6-311G*

States and conformations

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