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	hartrees
Energy at 0K	-2651.907138
Energy at 298.15K
HF Energy	-2651.041057
Nuclear repulsion energy	164.566384

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'	3175	3012	17.20	76.54	0.69	0.82
2	A'	3141	2980	11.57	109.83	0.13	0.23
3	A'	3086	2927	16.11	144.73	0.04	0.08
4	A'	1517	1439	2.22	7.04	0.75	0.86
5	A'	1503	1426	1.01	11.31	0.71	0.83
6	A'	1433	1360	5.22	2.88	0.75	0.86
7	A'	1323	1255	53.58	2.67	0.68	0.81
8	A'	1108	1051	0.03	4.07	0.36	0.53
9	A'	1003	952	11.28	4.95	0.74	0.85
10	A'	610	579	10.66	16.98	0.26	0.41
11	A'	298	283	1.37	1.89	0.51	0.68
12	A"	3215	3049	13.07	17.14	0.75	0.86
13	A"	3189	3025	3.88	93.64	0.75	0.86
14	A"	1506	1428	8.70	10.59	0.75	0.86
15	A"	1291	1225	0.79	3.51	0.75	0.86
16	A"	1067	1012	0.50	5.13	0.75	0.86
17	A"	789	748	3.74	0.17	0.75	0.86
18	A"	288	273	0.00	0.06	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.574	-2.021	0.000
C2	0.599	-1.061	0.000
Br3	0.000	0.790	0.000
H4	1.219	-1.177	0.888
H5	1.219	-1.177	-0.888
H6	-0.201	-3.051	0.000
H7	-1.196	-1.876	0.885
H8	-1.196	-1.876	-0.885

	C1	C2	Br3	H4	H5	H6	H7	H8
C1		1.5156	2.8689	2.1717	2.1717	1.0949	1.0916	1.0916
C2	1.5156		1.9460	1.0895	1.0895	2.1444	2.1610	2.1610
Br3	2.8689	1.9460		2.4793	2.4793	3.8459	3.0531	3.0531
H4	2.1717	1.0895	2.4793		1.7766	2.5134	2.5143	3.0768
H5	2.1717	1.0895	2.4793	1.7766		2.5134	3.0768	2.5143
H6	1.0949	2.1444	3.8459	2.5134	2.5134		1.7753	1.7753
H7	1.0916	2.1610	3.0531	2.5143	3.0768	1.7753		1.7704
H8	1.0916	2.1610	3.0531	3.0768	2.5143	1.7753	1.7704

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	111.341	C1	C2	H4	111.906
C1	C2	H5	111.906	C2	C1	H6	109.404
C2	C1	H7	110.922	C2	C1	H8	110.922
Br3	C2	H4	106.061	Br3	C2	H5	106.061
H4	C2	H5	109.237	H6	C1	H7	108.574
H6	C1	H8	108.574	H7	C1	H8	108.380

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-311G**

States and conformations

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