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	hartrees
Energy at 0K	-2651.498344
Energy at 298.15K
HF Energy	-2651.048015
Nuclear repulsion energy	163.715368

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'	3156	3156	16.30	72.24	0.69	0.81
2	A'	3121	3121	10.34	119.43	0.08	0.14
3	A'	3063	3063	17.23	197.76	0.03	0.07
4	A'	1487	1487	1.66	2.80	0.75	0.86
5	A'	1469	1469	0.87	5.68	0.67	0.80
6	A'	1394	1394	4.89	1.08	0.68	0.81
7	A'	1280	1280	46.37	5.75	0.28	0.43
8	A'	1093	1093	0.09	5.32	0.14	0.24
9	A'	984	984	12.37	3.32	0.63	0.77
10	A'	597	597	11.67	20.42	0.17	0.29
11	A'	292	292	1.35	2.39	0.27	0.42
12	A"	3198	3198	8.34	21.80	0.75	0.86
13	A"	3171	3171	5.17	72.26	0.75	0.86
14	A"	1477	1477	9.05	5.31	0.75	0.86
15	A"	1262	1262	0.25	0.94	0.75	0.86
16	A"	1041	1041	0.17	1.17	0.75	0.86
17	A"	769	769	2.82	0.01	0.75	0.86
18	A"	264	264	0.01	0.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	-0.578	-2.027	0.000
C2	0.604	-1.070	0.000
Br3	0.000	0.793	0.000
H4	1.228	-1.180	0.896
H5	1.228	-1.180	-0.896
H6	-0.207	-3.066	0.000
H7	-1.203	-1.878	0.892
H8	-1.203	-1.878	-0.892

	C1	C2	Br3	H4	H5	H6	H7	H8
C1		1.5212	2.8792	2.1871	2.1871	1.1025	1.0992	1.0992
C2	1.5212		1.9589	1.0974	1.0974	2.1541	2.1712	2.1712
Br3	2.8792	1.9589		2.4908	2.4908	3.8644	3.0627	3.0627
H4	2.1871	1.0974	2.4908		1.7919	2.5336	2.5293	3.0975
H5	2.1871	1.0974	2.4908	1.7919		2.5336	3.0975	2.5293
H6	1.1025	2.1541	3.8644	2.5336	2.5336		1.7879	1.7879
H7	1.0992	2.1712	3.0627	2.5293	3.0975	1.7879		1.7842
H8	1.0992	2.1712	3.0627	3.0975	2.5293	1.7879	1.7842

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	111.032	C1	C2	H4	112.275
C1	C2	H5	112.275	C2	C1	H6	109.338
C2	C1	H7	110.880	C2	C1	H8	110.880
Br3	C2	H4	105.693	Br3	C2	H5	105.693
H4	C2	H5	109.468	H6	C1	H7	108.592
H6	C1	H8	108.592	H7	C1	H8	108.497

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

using model chemistry: MP2/daug-cc-pVDZ

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/daug-cc-pVDZ

States and conformations

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