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	hartrees
Energy at 0K	-2651.804709
Energy at 298.15K	-2651.813039
HF Energy	-2651.142481
Nuclear repulsion energy	165.895412

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3172	3011	16.02
2	A'	3150	2991	6.18
3	A'	3097	2940	14.92
4	A'	1524	1446	2.16
5	A'	1507	1431	1.57
6	A'	1425	1353	5.42
7	A'	1303	1237	43.43
8	A'	1106	1050	0.03
9	A'	1002	951	11.67
10	A'	618	587	9.58
11	A'	294	279	1.21
12	A"	3206	3044	8.03
13	A"	3181	3020	2.84
14	A"	1514	1438	9.43
15	A"	1288	1223	0.41
16	A"	1057	1003	0.18
17	A"	780	741	3.55
18	A"	288	273	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.573	-1.994	0.000
C2	0.599	-1.053	0.000
Br3	0.000	0.780	0.000
H4	1.211	-1.156	0.884
H5	1.211	-1.156	-0.884
H6	-0.211	-3.019	0.000
H7	-1.186	-1.842	0.880
H8	-1.186	-1.842	-0.880

	C1	C2	Br3	H4	H5	H6	H7	H8
C1		1.5030	2.8325	2.1603	2.1603	1.0871	1.0836	1.0836
C2	1.5030		1.9283	1.0806	1.0806	2.1265	2.1414	2.1414
Br3	2.8325	1.9283		2.4490	2.4490	3.8049	3.0094	3.0094
H4	2.1603	1.0806	2.4490		1.7689	2.5051	2.4941	3.0550
H5	2.1603	1.0806	2.4490	1.7689		2.5051	3.0550	2.4941
H6	1.0871	2.1265	3.8049	2.5051	2.5051		1.7641	1.7641
H7	1.0836	2.1414	3.0094	2.4941	3.0550	1.7641		1.7596
H8	1.0836	2.1414	3.0094	3.0550	2.4941	1.7641	1.7596

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Br3	110.668	C1	C2	H4	112.447
C1	C2	H5	112.447	C2	C1	H6	109.324
C2	C1	H7	110.722	C2	C1	H8	110.722
Br3	C2	H4	105.475	Br3	C2	H5	105.475
H4	C2	H5	109.874	H6	C1	H7	108.723
H6	C1	H8	108.723	H7	C1	H8	108.576

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

using model chemistry: MP2=FULL/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=FULL/cc-pVTZ

States and conformations

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