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	hartrees
Energy at 0K	-178.489372
Energy at 298.15K	-178.495027
HF Energy	-178.076869
Nuclear repulsion energy	79.391999

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3233	2986	24.91
2	A'	3162	2921	30.83
3	A'	3152	2912	19.02
4	A'	1618	1494	0.21
5	A'	1584	1463	2.31
6	A'	1520	1404	34.31
7	A'	1481	1368	4.68
8	A'	1196	1105	44.44
9	A'	1144	1057	50.19
10	A'	947	875	13.14
11	A'	424	391	6.70
12	A"	3246	2999	38.15
13	A"	3208	2963	27.29
14	A"	1567	1448	4.61
15	A"	1361	1257	0.01
16	A"	1257	1161	5.58
17	A"	848	783	0.33
18	A"	275	254	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.561	0.000
C2	1.119	-0.452	0.000
F3	-1.220	-0.103	0.000
H4	0.032	1.196	0.886
H5	0.032	1.196	-0.886
H6	2.088	0.050	0.000
H7	1.055	-1.085	0.884
H8	1.055	-1.085	-0.884

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5097	1.3887	1.0906	1.0906	2.1498	2.1460	2.1460
C2	1.5097		2.3654	2.1639	2.1639	1.0910	1.0894	1.0894
F3	1.3887	2.3654		2.0099	2.0099	3.3116	2.6314	2.6314
H4	1.0906	2.1639	2.0099		1.7722	2.5148	2.5000	3.0633
H5	1.0906	2.1639	2.0099	1.7722		2.5148	3.0633	2.5000
H6	2.1498	1.0910	3.3116	2.5148	2.5148		1.7712	1.7712
H7	2.1460	1.0894	2.6314	2.5000	3.0633	1.7712		1.7683
H8	2.1460	1.0894	2.6314	3.0633	2.5000	1.7712	1.7683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.471	C1	C2	H7	110.265
C1	C2	H8	110.265	C2	C1	F3	109.324
C2	C1	H4	111.629	C2	C1	H5	111.629
F3	C1	H4	107.714	F3	C1	H5	107.714
H4	C1	H5	108.677	H6	C2	H7	108.642
H6	C2	H8	108.642	H7	C2	H8	108.501

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: CID/6-31G*

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: CID/6-31G*

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)