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	hartrees
Energy at 0K	-178.577229
Energy at 298.15K	-178.582868
HF Energy	-178.084943
Nuclear repulsion energy	79.235319

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3215	3015	25.39
2	A'	3130	2934	12.44
3	A'	3126	2931	40.41
4	A'	1593	1494	0.36
5	A'	1563	1465	1.69
6	A'	1497	1403	32.10
7	A'	1457	1366	3.99
8	A'	1176	1103	38.83
9	A'	1128	1057	45.16
10	A'	931	873	12.46
11	A'	416	390	6.23
12	A"	3228	3026	34.99
13	A"	3178	2980	33.88
14	A"	1547	1450	3.11
15	A"	1341	1257	0.04
16	A"	1237	1160	5.06
17	A"	833	781	0.08
18	A"	274	257	0.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.561	0.000
C2	1.123	-0.452	0.000
F3	-1.224	-0.104	0.000
H4	0.036	1.197	0.886
H5	0.036	1.197	-0.886
H6	2.089	0.054	0.000
H7	1.060	-1.084	0.884
H8	1.060	-1.084	-0.884

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5123	1.3935	1.0912	1.0912	2.1494	2.1474	2.1474
C2	1.5123		2.3727	2.1647	2.1647	1.0902	1.0886	1.0886
F3	1.3935	2.3727		2.0166	2.0166	3.3167	2.6380	2.6380
H4	1.0912	2.1647	2.0166		1.7722	2.5112	2.5003	3.0635
H5	1.0912	2.1647	2.0166	1.7722		2.5112	3.0635	2.5003
H6	2.1494	1.0902	3.3167	2.5112	2.5112		1.7704	1.7704
H7	2.1474	1.0886	2.6380	2.5003	3.0635	1.7704		1.7682
H8	2.1474	1.0886	2.6380	3.0635	2.5003	1.7704	1.7682

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.304	C1	C2	H7	110.243
C1	C2	H8	110.243	C2	C1	F3	109.414
C2	C1	H4	111.469	C2	C1	H5	111.469
F3	C1	H4	107.884	F3	C1	H5	107.884
H4	C1	H5	108.591	H6	C2	H7	108.692
H6	C2	H8	108.692	H7	C2	H8	108.619

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: CCD/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: CCD/6-31G**

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)