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	hartrees
Energy at 0K	-178.978379
Energy at 298.15K	-178.983893
HF Energy	-178.978379
Nuclear repulsion energy	78.356014

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3071	3018	30.16
2	A'	2996	2944	23.11
3	A'	2992	2941	41.05
4	A'	1490	1464	0.90
5	A'	1475	1449	1.82
6	A'	1395	1371	28.93
7	A'	1368	1344	3.48
8	A'	1096	1077	16.82
9	A'	1017	999	95.18
10	A'	855	841	28.86
11	A'	402	395	6.42
12	A"	3091	3038	40.30
13	A"	3043	2991	25.83
14	A"	1459	1434	6.30
15	A"	1267	1245	0.01
16	A"	1157	1138	4.35
17	A"	798	784	0.82
18	A"	252	248	0.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.561	0.000
C2	1.143	-0.439	0.000
F3	-1.243	-0.120	0.000
H4	0.013	1.199	0.896
H5	0.013	1.199	-0.896
H6	2.102	0.099	0.000
H7	1.103	-1.077	0.892
H8	1.103	-1.077	-0.892

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5187	1.4178	1.0999	1.0999	2.1525	2.1669	2.1669
C2	1.5187		2.4074	2.1823	2.1823	1.1001	1.0975	1.0975
F3	1.4178	2.4074		2.0296	2.0296	3.3528	2.6863	2.6863
H4	1.0999	2.1823	2.0296		1.7927	2.5257	2.5230	3.0927
H5	1.0999	2.1823	2.0296	1.7927		2.5257	3.0927	2.5230
H6	2.1525	1.1001	3.3528	2.5257	2.5257		1.7825	1.7825
H7	2.1669	1.0975	2.6863	2.5230	3.0927	1.7825		1.7845
H8	2.1669	1.0975	2.6863	3.0927	2.5230	1.7825	1.7845

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.521	C1	C2	H7	110.817
C1	C2	H8	110.817	C2	C1	F3	110.085
C2	C1	H4	111.900	C2	C1	H5	111.900
F3	C1	H4	106.766	F3	C1	H5	106.766
H4	C1	H5	109.167	H6	C2	H7	108.417
H6	C2	H8	108.417	H7	C2	H8	108.784

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: B97D3/6-31+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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Number	Element	Mulliken
1	C	0.005
2	C	-0.478
3	F	-0.312
4	H	0.143
5	H	0.143
6	H	0.157
7	H	0.171
8	H	0.171

	x	y	z	Total
	1.965	0.809	0.000	2.125
CHELPG
AIM
ESP

	x	y	z
x	4.240	-0.097	0.000
y	-0.097	4.040	0.000
z	0.000	0.000	3.770

<r²>	52.210
(<r²>)^1/2	7.226

All results from a given calculation for C2H5F (fluoroethane)

using model chemistry: B97D3/6-31+G**

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)