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	hartrees
Energy at 0K	-37.697741
Energy at 298.15K	-37.703407
Nuclear repulsion energy	46.622826

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3251	2967	62.81
2	A'	3222	2940	30.87
3	A'	3160	2883	24.53
4	A'	1657	1512	1.16
5	A'	1636	1493	4.56
6	A'	1566	1429	21.28
7	A'	1524	1391	16.32
8	A'	1213	1107	17.32
9	A'	1126	1028	83.34
10	A'	928	847	49.26
11	A'	424	387	10.88
12	A"	3301	3012	79.34
13	A"	3261	2976	9.80
14	A"	1618	1477	6.27
15	A"	1389	1268	0.00
16	A"	1279	1167	7.79
17	A"	885	808	0.39
18	A"	250	228	1.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.576	0.000
C2	1.148	-0.423	0.000
F3	-1.241	-0.145	0.000
H4	-0.012	1.196	0.887
H5	-0.012	1.196	-0.887
H6	2.098	0.105	0.000
H7	1.105	-1.055	0.880
H8	1.105	-1.055	-0.880

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5222	1.4354	1.0822	1.0822	2.1504	2.1575	2.1575
C2	1.5222		2.4058	2.1810	2.1810	1.0870	1.0843	1.0843
F3	1.4354	2.4058		2.0236	2.0236	3.3489	2.6660	2.6660
H4	1.0822	2.1810	2.0236		1.7731	2.5361	2.5133	3.0722
H5	1.0822	2.1810	2.0236	1.7731		2.5361	3.0722	2.5133
H6	2.1504	1.0870	3.3489	2.5361	2.5361		1.7629	1.7629
H7	2.1575	1.0843	2.6660	2.5133	3.0722	1.7629		1.7605
H8	2.1575	1.0843	2.6660	3.0722	2.5133	1.7629	1.7605

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.889	C1	C2	H7	110.613
C1	C2	H8	110.613	C2	C1	F3	108.836
C2	C1	H4	112.645	C2	C1	H5	112.645
F3	C1	H4	106.140	F3	C1	H5	106.140
H4	C1	H5	110.009	H6	C2	H7	108.561
H6	C2	H8	108.561	H7	C2	H8	108.544

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: HF/CEP-121G

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	0.104
2	C	-0.454
3	F	-0.387
4	H	0.135
5	H	0.135
6	H	0.142
7	H	0.162
8	H	0.162

	x	y	z	Total
	2.550	1.209	0.000	2.822
CHELPG
AIM
ESP

	x	y	z
x	3.484	0.045	0.000
y	0.045	3.357	0.000
z	0.000	0.000	3.276

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2H5F (fluoroethane)

using model chemistry: HF/CEP-121G

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)