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	hartrees
Energy at 0K	-178.945418
Energy at 298.15K	-178.950991
Nuclear repulsion energy	78.365930

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3165	3019	24.15
2	A'	3090	2947	32.12
3	A'	3078	2936	15.11
4	A'	1564	1491	1.39
5	A'	1543	1472	5.12
6	A'	1464	1397	19.24
7	A'	1433	1366	12.99
8	A'	1151	1098	15.21
9	A'	1080	1030	52.05
10	A'	899	857	17.52
11	A'	392	374	7.74
12	A"	3182	3035	40.40
13	A"	3143	2997	20.11
14	A"	1526	1455	7.84
15	A"	1310	1249	0.66
16	A"	1191	1136	5.13
17	A"	841	802	2.04
18	A"	260	248	0.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.571	0.000
C2	1.143	-0.412	0.000
F3	-1.241	-0.153	0.000
H4	0.004	1.205	0.890
H5	0.004	1.205	-0.890
H6	2.101	0.114	0.000
H7	1.101	-1.050	0.885
H8	1.101	-1.050	-0.885

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5079	1.4367	1.0927	1.0927	2.1502	2.1507	2.1507
C2	1.5079		2.3975	2.1693	2.1693	1.0937	1.0920	1.0920
F3	1.4367	2.3975		2.0457	2.0457	3.3525	2.6593	2.6593
H4	1.0927	2.1693	2.0457		1.7807	2.5261	2.5080	3.0730
H5	1.0927	2.1693	2.0457	1.7807		2.5261	3.0730	2.5080
H6	2.1502	1.0937	3.3525	2.5261	2.5261		1.7724	1.7724
H7	2.1507	1.0920	2.6593	2.5080	3.0730	1.7724		1.7706
H8	2.1507	1.0920	2.6593	3.0730	2.5080	1.7724	1.7706

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.475	C1	C2	H7	110.613
C1	C2	H8	110.613	C2	C1	F3	108.998
C2	C1	H4	112.070	C2	C1	H5	112.070
F3	C1	H4	107.165	F3	C1	H5	107.165
H4	C1	H5	109.135	H6	C2	H7	108.370
H6	C2	H8	108.370	H7	C2	H8	108.322

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	0.021
2	C	-0.490
3	F	-0.361
4	H	0.158
5	H	0.158
6	H	0.157
7	H	0.179
8	H	0.179

	x	y	z	Total
	2.060	0.937	0.000	2.263
CHELPG
AIM
ESP

	x	y	z
x	3.439	0.009	0.000
y	0.009	3.304	0.000
z	0.000	0.000	3.187

<r²>	51.722
(<r²>)^1/2	7.192

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)