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	hartrees
Energy at 0K	-178.670581
Energy at 298.15K	-178.676212
HF Energy	-178.129262
Nuclear repulsion energy	79.171081

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3143	3143	29.06
2	A'	3078	3078	35.17
3	A'	3065	3065	17.14
4	A'	1552	1552	0.64
5	A'	1522	1522	1.60
6	A'	1472	1472	31.84
7	A'	1427	1427	1.44
8	A'	1157	1157	41.24
9	A'	1111	1111	53.07
10	A'	914	914	14.30
11	A'	418	418	6.38
12	A"	3156	3156	46.67
13	A"	3122	3122	20.09
14	A"	1503	1503	4.17
15	A"	1331	1331	0.53
16	A"	1220	1220	5.60
17	A"	824	824	0.04
18	A"	272	272	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.560	0.000
C2	1.122	-0.461	0.000
F3	-1.224	-0.093	0.000
H4	0.040	1.195	0.892
H5	0.040	1.195	-0.892
H6	2.093	0.046	0.000
H7	1.057	-1.096	0.889
H8	1.057	-1.096	-0.889

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5171	1.3874	1.0954	1.0954	2.1555	2.1563	2.1563
C2	1.5171		2.3746	2.1702	2.1702	1.0960	1.0943	1.0943
F3	1.3874	2.3746		2.0129	2.0129	3.3203	2.6455	2.6455
H4	1.0954	2.1702	2.0129		1.7832	2.5165	2.5070	3.0749
H5	1.0954	2.1702	2.0129	1.7832		2.5165	3.0749	2.5070
H6	2.1555	1.0960	3.3203	2.5165	2.5165		1.7803	1.7803
H7	2.1563	1.0943	2.6455	2.5070	3.0749	1.7803		1.7778
H8	2.1563	1.0943	2.6455	3.0749	2.5070	1.7803	1.7778

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.107	C1	C2	H7	110.281
C1	C2	H8	110.281	C2	C1	F3	109.604
C2	C1	H4	111.321	C2	C1	H5	111.321
F3	C1	H4	107.753	F3	C1	H5	107.753
H4	C1	H5	108.959	H6	C2	H7	108.741
H6	C2	H8	108.741	H7	C2	H8	108.647

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: CCSD/6-311G**

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: CCSD/6-311G**

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)