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	hartrees
Energy at 0K	-178.609907
Energy at 298.15K	-178.615483
HF Energy	-178.102614
Nuclear repulsion energy	78.471657

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3169	3039	19.19
2	A'	3100	2973	34.38
3	A'	3075	2949	10.16
4	A'	1514	1452	0.77
5	A'	1492	1431	1.54
6	A'	1417	1359	25.04
7	A'	1381	1324	0.71
8	A'	1123	1077	7.97
9	A'	1073	1029	90.52
10	A'	883	847	24.46
11	A'	406	389	6.55
12	A"	3190	3059	31.34
13	A"	3160	3031	10.50
14	A"	1473	1412	5.05
15	A"	1293	1240	0.21
16	A"	1180	1132	3.95
17	A"	808	775	0.50
18	A"	261	251	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.564	0.000
C2	1.139	-0.436	0.000
F3	-1.237	-0.126	0.000
H4	0.009	1.200	0.898
H5	0.009	1.200	-0.898
H6	2.100	0.104	0.000
H7	1.093	-1.072	0.895
H8	1.093	-1.072	-0.895

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5152	1.4166	1.1006	1.1006	2.1496	2.1617	2.1617
C2	1.5152		2.3960	2.1815	2.1815	1.1022	1.0995	1.0995
F3	1.4166	2.3960		2.0293	2.0293	3.3449	2.6694	2.6694
H4	1.1006	2.1815	2.0293		1.7963	2.5258	2.5176	3.0911
H5	1.1006	2.1815	2.0293	1.7963		2.5258	3.0911	2.5176
H6	2.1496	1.1022	3.3449	2.5258	2.5258		1.7886	1.7886
H7	2.1617	1.0995	2.6694	2.5176	3.0911	1.7886		1.7905
H8	2.1617	1.0995	2.6694	3.0911	2.5176	1.7886	1.7905

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.409	C1	C2	H7	110.522
C1	C2	H8	110.522	C2	C1	F3	109.572
C2	C1	H4	112.037	C2	C1	H5	112.037
F3	C1	H4	106.774	F3	C1	H5	106.774
H4	C1	H5	109.377	H6	C2	H7	108.657
H6	C2	H8	108.657	H7	C2	H8	109.028

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: MP2/aug-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 C2H5F (fluoroethane)

using model chemistry: MP2/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)