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	hartrees
Energy at 0K	-178.541370
Energy at 298.15K	-178.547002
HF Energy	-178.076543
Nuclear repulsion energy	79.195604

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3196	2999	21.51
2	A'	3116	2924	15.66
3	A'	3113	2921	31.52
4	A'	1593	1495	0.21
5	A'	1561	1465	2.49
6	A'	1494	1402	33.65
7	A'	1456	1366	4.25
8	A'	1179	1106	40.69
9	A'	1129	1059	47.19
10	A'	934	877	11.72
11	A'	418	392	6.51
12	A"	3208	3011	30.54
13	A"	3163	2968	30.13
14	A"	1545	1449	4.93
15	A"	1339	1257	0.00
16	A"	1237	1161	5.34
17	A"	836	785	0.43
18	A"	273	257	0.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.556	0.000
C2	1.116	-0.458	0.000
F3	-1.224	-0.093	0.000
H4	0.062	1.196	0.888
H5	0.062	1.196	-0.888
H6	2.085	0.050	0.000
H7	1.056	-1.095	0.887
H8	1.056	-1.095	-0.887

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5084	1.3860	1.0960	1.0960	2.1454	2.1509	2.1509
C2	1.5084		2.3691	2.1532	2.1532	1.0941	1.0930	1.0930
F3	1.3860	2.3691		2.0264	2.0264	3.3125	2.6438	2.6438
H4	1.0960	2.1532	2.0264		1.7750	2.4883	2.4970	3.0632
H5	1.0960	2.1532	2.0264	1.7750		2.4883	3.0632	2.4970
H6	2.1454	1.0941	3.3125	2.4883	2.4883		1.7765	1.7765
H7	2.1509	1.0930	2.6438	2.4970	3.0632	1.7765		1.7735
H8	2.1509	1.0930	2.6438	3.0632	2.4970	1.7765	1.7735

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.025	C1	C2	H7	110.531
C1	C2	H8	110.531	C2	C1	F3	109.793
C2	C1	H4	110.528	C2	C1	H5	110.528
F3	C1	H4	108.897	F3	C1	H5	108.897
H4	C1	H5	108.150	H6	C2	H7	108.630
H6	C2	H8	108.630	H7	C2	H8	108.438

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: MP3=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: MP3=FULL/6-31G*

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)