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	hartrees
Energy at 0K	-178.801354
Energy at 298.15K	-178.806997
HF Energy	-178.149841
Nuclear repulsion energy	79.696630

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3184	3022	17.20
2	A'	3115	2958	34.95
3	A'	3107	2950	8.90
4	A'	1559	1480	0.75
5	A'	1530	1452	1.68
6	A'	1455	1382	25.70
7	A'	1415	1344	2.91
8	A'	1151	1093	34.52
9	A'	1114	1057	64.37
10	A'	913	867	12.59
11	A'	417	396	5.84
12	A"	3196	3035	24.90
13	A"	3153	2994	18.29
14	A"	1511	1434	5.30
15	A"	1335	1267	0.27
16	A"	1213	1151	4.85
17	A"	823	782	0.52
18	A"	280	266	0.59

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.550	0.000
C2	1.111	-0.453	0.000
F3	-1.219	-0.093	0.000
H4	0.061	1.183	0.881
H5	0.061	1.183	-0.881
H6	2.067	0.060	0.000
H7	1.057	-1.084	0.880
H8	1.057	-1.084	-0.880

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.4971	1.3780	1.0863	1.0863	2.1247	2.1357	2.1357
C2	1.4971		2.3573	2.1345	2.1345	1.0853	1.0842	1.0842
F3	1.3780	2.3573		2.0101	2.0101	3.2895	2.6331	2.6331
H4	1.0863	2.1345	2.0101		1.7624	2.4626	2.4756	3.0384
H5	1.0863	2.1345	2.0101	1.7624		2.4626	3.0384	2.4756
H6	2.1247	1.0853	3.2895	2.4626	2.4626		1.7619	1.7619
H7	2.1357	1.0842	2.6331	2.4756	3.0384	1.7619		1.7607
H8	2.1357	1.0842	2.6331	3.0384	2.4756	1.7619	1.7607

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.698	C1	C2	H7	110.645
C1	C2	H8	110.645	C2	C1	F3	110.080
C2	C1	H4	110.413	C2	C1	H5	110.413
F3	C1	H4	108.731	F3	C1	H5	108.731
H4	C1	H5	108.424	H6	C2	H7	108.610
H6	C2	H8	108.610	H7	C2	H8	108.578

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: MP2=FULL/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: MP2=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)