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	hartrees
Energy at 0K	-178.520334
Energy at 298.15K	-178.525969
HF Energy	-178.076404
Nuclear repulsion energy	79.144422

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3212	3026	18.11
2	A'	3121	2941	12.81
3	A'	3119	2939	34.88
4	A'	1596	1504	0.13
5	A'	1566	1475	2.67
6	A'	1490	1404	33.37
7	A'	1455	1371	4.60
8	A'	1171	1104	26.24
9	A'	1118	1054	57.21
10	A'	929	875	13.14
11	A'	415	391	6.33
12	A"	3226	3040	25.32
13	A"	3177	2993	31.80
14	A"	1549	1460	5.03
15	A"	1339	1261	0.02
16	A"	1234	1163	4.97
17	A"	838	789	0.54
18	A"	280	264	0.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.556	0.000
C2	1.118	-0.454	0.000
F3	-1.226	-0.098	0.000
H4	0.064	1.196	0.887
H5	0.064	1.196	-0.887
H6	2.084	0.056	0.000
H7	1.058	-1.089	0.886
H8	1.058	-1.089	-0.886

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5063	1.3895	1.0955	1.0955	2.1435	2.1478	2.1478
C2	1.5063		2.3705	2.1491	2.1491	1.0933	1.0920	1.0920
F3	1.3895	2.3705		2.0310	2.0310	3.3141	2.6433	2.6433
H4	1.0955	2.1491	2.0310		1.7738	2.4834	2.4924	3.0587
H5	1.0955	2.1491	2.0310	1.7738		2.4834	3.0587	2.4924
H6	2.1435	1.0933	3.3141	2.4834	2.4834		1.7751	1.7751
H7	2.1478	1.0920	2.6433	2.4924	3.0587	1.7751		1.7722
H8	2.1478	1.0920	2.6433	3.0587	2.4924	1.7751	1.7722

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.068	C1	C2	H7	110.489
C1	C2	H8	110.489	C2	C1	F3	109.822
C2	C1	H4	110.385	C2	C1	H5	110.385
F3	C1	H4	109.053	F3	C1	H5	109.053
H4	C1	H5	108.102	H6	C2	H7	108.634
H6	C2	H8	108.634	H7	C2	H8	108.471

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G*

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)