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	hartrees
Energy at 0K	-178.601034
Energy at 298.15K	-178.606654
HF Energy	-178.093940
Nuclear repulsion energy	79.139726

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3226	3005	23.93
2	A'	3160	2943	34.74
3	A'	3139	2924	12.83
4	A'	1581	1473	0.14
5	A'	1554	1448	2.23
6	A'	1485	1383	30.68
7	A'	1447	1348	4.70
8	A'	1162	1082	25.41
9	A'	1114	1038	78.62
10	A'	919	856	20.84
11	A'	419	390	7.30
12	A"	3245	3023	37.59
13	A"	3214	2994	14.13
14	A"	1537	1432	5.25
15	A"	1335	1244	0.21
16	A"	1227	1143	4.88
17	A"	833	776	0.14
18	A"	262	244	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.554	0.000
C2	1.122	-0.453	0.000
F3	-1.227	-0.098	0.000
H4	0.047	1.189	0.884
H5	0.047	1.189	-0.884
H6	2.078	0.067	0.000
H7	1.070	-1.085	0.883
H8	1.070	-1.085	-0.883

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5073	1.3897	1.0895	1.0895	2.1344	2.1475	2.1475
C2	1.5073		2.3750	2.1521	2.1521	1.0884	1.0873	1.0873
F3	1.3897	2.3750		2.0155	2.0155	3.3089	2.6510	2.6510
H4	1.0895	2.1521	2.0155		1.7688	2.4830	2.4933	3.0562
H5	1.0895	2.1521	2.0155	1.7688		2.4830	3.0562	2.4933
H6	2.1344	1.0884	3.3089	2.4830	2.4830		1.7671	1.7671
H7	2.1475	1.0873	2.6510	2.4933	3.0562	1.7671		1.7660
H8	2.1475	1.0873	2.6510	3.0562	2.4933	1.7671	1.7660

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.568	C1	C2	H7	110.676
C1	C2	H8	110.676	C2	C1	F3	110.065
C2	C1	H4	110.912	C2	C1	H5	110.912
F3	C1	H4	108.162	F3	C1	H5	108.162
H4	C1	H5	108.535	H6	C2	H7	108.628
H6	C2	H8	108.628	H7	C2	H8	108.610

All results from a given calculation for C₂H₅F (fluoroethane)

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

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/6-31+G**

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)