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	hartrees
Energy at 0K	-178.667036
Energy at 298.15K	-178.672672
HF Energy	-178.129352
Nuclear repulsion energy	79.239977

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3154	3012	27.44
2	A'	3085	2946	35.82
3	A'	3072	2934	15.64
4	A'	1556	1486	0.91
5	A'	1525	1457	1.65
6	A'	1476	1410	32.72
7	A'	1430	1366	1.46
8	A'	1166	1113	52.33
9	A'	1118	1068	43.57
10	A'	919	877	12.47
11	A'	420	401	6.40
12	A"	3165	3023	44.33
13	A"	3130	2990	20.74
14	A"	1506	1438	4.23
15	A"	1336	1276	0.64
16	A"	1222	1167	5.78
17	A"	825	788	0.05
18	A"	271	259	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.559	0.000
C2	1.120	-0.464	0.000
F3	-1.223	-0.090	0.000
H4	0.042	1.195	0.891
H5	0.042	1.195	-0.891
H6	2.092	0.042	0.000
H7	1.055	-1.099	0.889
H8	1.055	-1.099	-0.889

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5170	1.3843	1.0952	1.0952	2.1552	2.1562	2.1562
C2	1.5170		2.3729	2.1696	2.1696	1.0956	1.0939	1.0939
F3	1.3843	2.3729		2.0105	2.0105	3.3178	2.6447	2.6447
H4	1.0952	2.1696	2.0105		1.7820	2.5154	2.5067	3.0742
H5	1.0952	2.1696	2.0105	1.7820		2.5154	3.0742	2.5067
H6	2.1552	1.0956	3.3178	2.5154	2.5154		1.7795	1.7795
H7	2.1562	1.0939	2.6447	2.5067	3.0742	1.7795		1.7770
H8	2.1562	1.0939	2.6447	3.0742	2.5067	1.7795	1.7770

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.120	C1	C2	H7	110.295
C1	C2	H8	110.295	C2	C1	F3	109.659
C2	C1	H4	111.287	C2	C1	H5	111.287
F3	C1	H4	107.791	F3	C1	H5	107.791
H4	C1	H5	108.899	H6	C2	H7	108.730
H6	C2	H8	108.730	H7	C2	H8	108.626

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: CCD/6-311G**

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: CCD/6-311G**

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)