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	hartrees
Energy at 0K	-178.797524
Energy at 298.15K	-178.803128
HF Energy	-178.152501
Nuclear repulsion energy	79.313222

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3136	2997	23.09
2	A'	3074	2938	31.42
3	A'	3060	2925	11.46
4	A'	1549	1480	0.94
5	A'	1524	1457	1.42
6	A'	1452	1388	24.54
7	A'	1422	1359	0.88
8	A'	1147	1096	34.88
9	A'	1102	1053	72.96
10	A'	908	867	15.68
11	A'	416	398	6.22
12	A"	3150	3010	35.16
13	A"	3117	2979	11.11
14	A"	1507	1440	4.86
15	A"	1322	1263	0.40
16	A"	1209	1156	4.35
17	A"	821	785	0.43
18	A"	254	243	0.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.557	0.000
C2	1.122	-0.451	0.000
F3	-1.224	-0.101	0.000
H4	0.027	1.190	0.888
H5	0.027	1.190	-0.888
H6	2.084	0.065	0.000
H7	1.070	-1.085	0.885
H8	1.070	-1.085	-0.885

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5083	1.3892	1.0908	1.0908	2.1416	2.1506	2.1506
C2	1.5083		2.3719	2.1634	2.1634	1.0918	1.0902	1.0902
F3	1.3892	2.3719		2.0047	2.0047	3.3123	2.6484	2.6484
H4	1.0908	2.1634	2.0047		1.7758	2.5073	2.5030	3.0673
H5	1.0908	2.1634	2.0047	1.7758		2.5073	3.0673	2.5030
H6	2.1416	1.0918	3.3123	2.5073	2.5073		1.7707	1.7707
H7	2.1506	1.0902	2.6484	2.5030	3.0673	1.7707		1.7702
H8	2.1506	1.0902	2.6484	3.0673	2.5030	1.7707	1.7702

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.872	C1	C2	H7	110.686
C1	C2	H8	110.686	C2	C1	F3	109.819
C2	C1	H4	111.678	C2	C1	H5	111.678
F3	C1	H4	107.250	F3	C1	H5	107.250
H4	C1	H5	108.971	H6	C2	H7	108.485
H6	C2	H8	108.485	H7	C2	H8	108.562

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: CCSD/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 C2H5F (fluoroethane)

using model chemistry: CCSD/aug-cc-pVTZ

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)