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	hartrees
Energy at 0K	-178.979775
Energy at 298.15K	-178.985368
Nuclear repulsion energy	79.467061

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3171	3010	23.79
2	A'	3089	2933	8.40
3	A'	3075	2919	48.93
4	A'	1559	1480	0.43
5	A'	1530	1452	1.96
6	A'	1461	1387	36.98
7	A'	1424	1351	2.44
8	A'	1161	1102	55.03
9	A'	1110	1054	43.68
10	A'	919	872	8.84
11	A'	406	385	5.57
12	A"	3180	3019	31.69
13	A"	3119	2961	37.87
14	A"	1513	1436	5.03
15	A"	1318	1251	0.01
16	A"	1208	1147	5.33
17	A"	817	776	0.81
18	A"	270	256	0.55

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.556	0.000
C2	1.116	-0.458	0.000
F3	-1.220	-0.092	0.000
H4	0.044	1.196	0.887
H5	0.044	1.196	-0.887
H6	2.087	0.042	0.000
H7	1.055	-1.094	0.885
H8	1.055	-1.094	-0.885

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5074	1.3816	1.0947	1.0947	2.1496	2.1490	2.1490
C2	1.5074		2.3644	2.1609	2.1609	1.0929	1.0917	1.0917
F3	1.3816	2.3644		2.0114	2.0114	3.3104	2.6389	2.6389
H4	1.0947	2.1609	2.0114		1.7739	2.5081	2.5029	3.0668
H5	1.0947	2.1609	2.0114	1.7739		2.5081	3.0668	2.5029
H6	2.1496	1.0929	3.3104	2.5081	2.5081		1.7721	1.7721
H7	2.1490	1.0917	2.6389	2.5029	3.0668	1.7721		1.7705
H8	2.1490	1.0917	2.6389	3.0668	2.5029	1.7721	1.7705

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.502	C1	C2	H7	110.525
C1	C2	H8	110.525	C2	C1	F3	109.773
C2	C1	H4	111.291	C2	C1	H5	111.291
F3	C1	H4	108.071	F3	C1	H5	108.071
H4	C1	H5	108.228	H6	C2	H7	108.425
H6	C2	H8	108.425	H7	C2	H8	108.365

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: B1B95/6-31G*

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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Number	Element	Mulliken
1	C	0.027
2	C	-0.525
3	F	-0.321
4	H	0.147
5	H	0.147
6	H	0.163
7	H	0.180
8	H	0.180

	x	y	z	Total
	1.604	0.637	0.000	1.725
CHELPG
AIM
ESP

	x	y	z
x	3.461	-0.080	0.000
y	-0.080	3.462	0.000
z	0.000	0.000	3.349

<r²>	50.655
(<r²>)^1/2	7.117

All results from a given calculation for C2H5F (fluoroethane)

using model chemistry: B1B95/6-31G*

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)