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	hartrees
Energy at 0K	-178.823543
Energy at 298.15K	-178.829144
HF Energy	-178.152558
Nuclear repulsion energy	79.513383

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3171	3017	15.87
2	A'	3106	2955	32.72
3	A'	3093	2942	7.74
4	A'	1556	1480	1.04
5	A'	1528	1454	2.03
6	A'	1445	1375	25.68
7	A'	1413	1344	1.21
8	A'	1144	1089	19.43
9	A'	1096	1043	85.56
10	A'	905	861	17.72
11	A'	416	396	6.12
12	A"	3185	3030	22.75
13	A"	3149	2996	12.70
14	A"	1512	1438	5.80
15	A"	1323	1259	0.25
16	A"	1207	1148	4.25
17	A"	821	781	0.71
18	A"	254	241	0.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.551	0.000
C2	1.114	-0.451	0.000
F3	-1.220	-0.097	0.000
H4	0.053	1.184	0.884
H5	0.053	1.184	-0.884
H6	2.069	0.068	0.000
H7	1.062	-1.082	0.882
H8	1.062	-1.082	-0.882

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.4978	1.3815	1.0885	1.0885	2.1247	2.1387	2.1387
C2	1.4978		2.3603	2.1399	2.1399	1.0872	1.0864	1.0864
F3	1.3815	2.3603		2.0105	2.0105	3.2933	2.6376	2.6376
H4	1.0885	2.1399	2.0105		1.7679	2.4683	2.4809	3.0454
H5	1.0885	2.1399	2.0105	1.7679		2.4683	3.0454	2.4809
H6	2.1247	1.0872	3.2933	2.4683	2.4683		1.7653	1.7653
H7	2.1387	1.0864	2.6376	2.4809	3.0454	1.7653		1.7647
H8	2.1387	1.0864	2.6376	3.0454	2.4809	1.7653	1.7647

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.532	C1	C2	H7	110.698
C1	C2	H8	110.698	C2	C1	F3	110.057
C2	C1	H4	110.667	C2	C1	H5	110.667
F3	C1	H4	108.390	F3	C1	H5	108.390
H4	C1	H5	108.600	H6	C2	H7	108.616
H6	C2	H8	108.616	H7	C2	H8	108.625

All results from a given calculation for C₂H₅F (fluoroethane)

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

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)