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	hartrees
Energy at 0K	-178.349299
Energy at 298.15K	-178.354822
HF Energy	-178.059303
Nuclear repulsion energy	76.710046

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3140	3024	38.17
2	A'	3095	2980	41.79
3	A'	3038	2926	17.38
4	A'	1551	1494	2.18
5	A'	1541	1484	5.18
6	A'	1466	1412	16.14
7	A'	1422	1369	13.54
8	A'	1132	1090	11.26
9	A'	1030	992	47.86
10	A'	842	811	30.13
11	A'	387	373	9.22
12	A"	3181	3063	66.38
13	A"	3152	3036	2.80
14	A"	1523	1466	7.16
15	A"	1295	1247	0.85
16	A"	1172	1129	5.19
17	A"	841	810	1.69
18	A"	253	244	0.79

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.592	0.000
C2	1.178	-0.398	0.000
F3	-1.268	-0.186	0.000
H4	-0.036	1.216	0.905
H5	-0.036	1.216	-0.905
H6	2.134	0.157	0.000
H7	1.142	-1.039	0.896
H8	1.142	-1.039	-0.896

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5390	1.4876	1.1002	1.1002	2.1773	2.1832	2.1832
C2	1.5390		2.4558	2.2135	2.2135	1.1053	1.1020	1.1020
F3	1.4876	2.4558		2.0745	2.0745	3.4192	2.7095	2.7095
H4	1.1002	2.2135	2.0745		1.8104	2.5780	2.5441	3.1172
H5	1.1002	2.2135	2.0745	1.8104		2.5780	3.1172	2.5441
H6	2.1773	1.1053	3.4192	2.5780	2.5780		1.7936	1.7936
H7	2.1832	1.1020	2.7095	2.5441	3.1172	1.7936		1.7922
H8	2.1832	1.1020	2.7095	3.1172	2.5441	1.7936	1.7922

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.764	C1	C2	H7	110.419
C1	C2	H8	110.419	C2	C1	F3	108.454
C2	C1	H4	112.956	C2	C1	H5	112.956
F3	C1	H4	105.594	F3	C1	H5	105.594
H4	C1	H5	110.714	H6	C2	H7	108.692
H6	C2	H8	108.692	H7	C2	H8	108.810

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: MP2/LANL2DZ

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/LANL2DZ

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)