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	hartrees
Energy at 0K	-2651.743705
Energy at 298.15K
HF Energy	-2651.143360
Nuclear repulsion energy	165.428756

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3160	3011	13.64	68.23	0.66	0.79
2	A'	3129	2982	7.72	115.93	0.09	0.16
3	A'	3071	2927	14.85	193.96	0.03	0.06
4	A'	1517	1446	2.09	2.62	0.75	0.86
5	A'	1505	1434	1.34	5.51	0.68	0.81
6	A'	1421	1354	4.79	0.56	0.72	0.84
7	A'	1296	1235	42.78	5.59	0.28	0.44
8	A'	1100	1049	0.04	4.68	0.11	0.20
9	A'	997	950	11.87	3.08	0.71	0.83
10	A'	614	585	10.42	18.49	0.16	0.28
11	A'	292	278	1.25	2.11	0.27	0.43
12	A"	3202	3051	5.36	20.45	0.75	0.86
13	A"	3173	3023	4.18	69.55	0.75	0.86
14	A"	1506	1435	9.79	4.88	0.75	0.86
15	A"	1280	1220	0.21	0.80	0.75	0.86
16	A"	1052	1003	0.13	1.01	0.75	0.86
17	A"	782	745	3.12	0.01	0.75	0.86
18	A"	267	254	0.02	0.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.574	-2.007	0.000
C2	0.601	-1.057	0.000
Br3	0.000	0.784	0.000
H4	1.219	-1.164	0.886
H5	1.219	-1.164	-0.886
H6	-0.212	-3.036	0.000
H7	-1.193	-1.856	0.883
H8	-1.193	-1.856	-0.883

	C1	C2	Br3	H4	H5	H6	H7	H8
C1		1.5111	2.8495	2.1704	2.1704	1.0912	1.0881	1.0881
C2	1.5111		1.9367	1.0856	1.0856	2.1397	2.1530	2.1530
Br3	2.8495	1.9367		2.4636	2.4636	3.8262	3.0289	3.0289
H4	2.1704	1.0856	2.4636		1.7718	2.5171	2.5091	3.0697
H5	2.1704	1.0856	2.4636	1.7718		2.5171	3.0697	2.5091
H6	1.0912	2.1397	3.8262	2.5171	2.5171		1.7698	1.7698
H7	1.0881	2.1530	3.0289	2.5091	3.0697	1.7698		1.7651
H8	1.0881	2.1530	3.0289	3.0697	2.5091	1.7698	1.7651

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	110.869	C1	C2	H4	112.367
C1	C2	H5	112.367	C2	C1	H6	109.560
C2	C1	H7	110.804	C2	C1	H8	110.804
Br3	C2	H4	105.724	Br3	C2	H5	105.724
H4	C2	H5	109.375	H6	C1	H7	108.602
H6	C1	H8	108.602	H7	C1	H8	108.409

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

using model chemistry: MP2/aug-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: MP2/aug-cc-pVTZ

States and conformations

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