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	hartrees
Energy at 0K	-178.897831
Energy at 298.15K	-178.903360
Nuclear repulsion energy	78.632795

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3050	3023	25.19
2	A'	2977	2950	10.23
3	A'	2958	2931	48.55
4	A'	1469	1456	1.09
5	A'	1448	1435	1.37
6	A'	1381	1368	28.35
7	A'	1350	1338	2.79
8	A'	1095	1085	20.92
9	A'	1036	1027	77.30
10	A'	866	858	15.68
11	A'	397	394	5.83
12	A"	3062	3035	33.62
13	A"	3000	2973	31.70
14	A"	1429	1416	6.51
15	A"	1258	1247	0.01
16	A"	1147	1137	4.96
17	A"	790	783	0.99
18	A"	261	259	0.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.561	0.000
C2	1.132	-0.446	0.000
F3	-1.236	-0.110	0.000
H4	0.030	1.203	0.897
H5	0.030	1.203	-0.897
H6	2.105	0.071	0.000
H7	1.081	-1.087	0.892
H8	1.081	-1.087	-0.892

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5148	1.4057	1.1035	1.1035	2.1608	2.1635	2.1635
C2	1.5148		2.3912	2.1763	2.1763	1.1018	1.0998	1.0998
F3	1.4057	2.3912		2.0322	2.0322	3.3451	2.6683	2.6683
H4	1.1035	2.1763	2.0322		1.7940	2.5273	2.5195	3.0902
H5	1.1035	2.1763	2.0322	1.7940		2.5273	3.0902	2.5195
H6	2.1608	1.1018	3.3451	2.5273	2.5273		1.7847	1.7847
H7	2.1635	1.0998	2.6683	2.5195	3.0902	1.7847		1.7846
H8	2.1635	1.0998	2.6683	3.0902	2.5195	1.7847	1.7846

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.342	C1	C2	H7	110.674
C1	C2	H8	110.674	C2	C1	F3	109.867
C2	C1	H4	111.472	C2	C1	H5	111.472
F3	C1	H4	107.562	F3	C1	H5	107.562
H4	C1	H5	108.749	H6	C2	H7	108.312
H6	C2	H8	108.312	H7	C2	H8	108.448

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	C	0.032
2	C	-0.377
3	F	-0.257
4	H	0.109
5	H	0.109
6	H	0.118
7	H	0.133
8	H	0.133

	x	y	z	Total
	1.641	0.688	0.000	1.779
CHELPG
AIM
ESP

	x	y	z
x	3.976	-0.144	0.000
y	-0.144	3.894	0.000
z	0.000	0.000	3.662

<r²>	51.762
(<r²>)^1/2	7.195

All results from a given calculation for C2H5F (fluoroethane)

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

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)