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	hartrees
Energy at 0K	-178.565653
Energy at 298.15K	-178.571259
HF Energy	-178.089245
Nuclear repulsion energy	78.905759

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3198	3046	18.16
2	A'	3098	2950	12.41
3	A'	3093	2946	42.89
4	A'	1528	1456	0.19
5	A'	1503	1431	1.86
6	A'	1443	1375	34.85
7	A'	1396	1330	0.96
8	A'	1139	1085	39.94
9	A'	1113	1060	51.75
10	A'	907	864	13.54
11	A'	409	389	5.74
12	A"	3207	3055	25.73
13	A"	3154	3004	33.94
14	A"	1481	1410	4.77
15	A"	1312	1250	0.21
16	A"	1198	1141	5.59
17	A"	814	775	0.37
18	A"	271	258	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.559	0.000
C2	1.124	-0.457	0.000
F3	-1.229	-0.097	0.000
H4	0.043	1.203	0.896
H5	0.043	1.203	-0.896
H6	2.100	0.055	0.000
H7	1.063	-1.098	0.894
H8	1.063	-1.098	-0.894

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5154	1.3926	1.1037	1.1037	2.1599	2.1616	2.1616
C2	1.5154		2.3802	2.1739	2.1739	1.1024	1.1012	1.1012
F3	1.3926	2.3802		2.0268	2.0268	3.3324	2.6554	2.6554
H4	1.1037	2.1739	2.0268		1.7911	2.5201	2.5161	3.0875
H5	1.1037	2.1739	2.0268	1.7911		2.5201	3.0875	2.5161
H6	2.1599	1.1024	3.3324	2.5201	2.5201		1.7899	1.7899
H7	2.1616	1.1012	2.6554	2.5161	3.0875	1.7899		1.7877
H8	2.1616	1.1012	2.6554	3.0875	2.5161	1.7899	1.7877

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.197	C1	C2	H7	110.400
C1	C2	H8	110.400	C2	C1	F3	109.796
C2	C1	H4	111.229	C2	C1	H5	111.229
F3	C1	H4	108.007	F3	C1	H5	108.007
H4	C1	H5	108.459	H6	C2	H7	108.636
H6	C2	H8	108.636	H7	C2	H8	108.519

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: MP2/cc-pVDZ

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/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)