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	hartrees
Energy at 0K	-178.129903
Energy at 298.15K	-178.135620
Nuclear repulsion energy	79.845339

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3237	2941	55.65
2	A'	3204	2911	33.84
3	A'	3170	2880	20.77
4	A'	1649	1498	0.47
5	A'	1618	1470	2.16
6	A'	1567	1423	34.05
7	A'	1520	1381	1.58
8	A'	1224	1112	56.21
9	A'	1158	1052	76.83
10	A'	959	871	20.23
11	A'	442	401	7.74
12	A"	3262	2963	92.12
13	A"	3233	2937	0.10
14	A"	1595	1449	4.34
15	A"	1414	1285	0.96
16	A"	1295	1176	7.04
17	A"	872	792	0.06
18	A"	276	251	0.97

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.555	0.000
C2	1.112	-0.466	0.000
F3	-1.214	-0.082	0.000
H4	0.038	1.184	0.882
H5	0.038	1.184	-0.882
H6	2.077	0.032	0.000
H7	1.050	-1.097	0.880
H8	1.050	-1.097	-0.880

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5104	1.3712	1.0836	1.0836	2.1421	2.1464	2.1464
C2	1.5104		2.3578	2.1577	2.1577	1.0864	1.0847	1.0847
F3	1.3712	2.3578		1.9870	1.9870	3.2934	2.6322	2.6322
H4	1.0836	2.1577	1.9870		1.7635	2.5025	2.4953	3.0548
H5	1.0836	2.1577	1.9870	1.7635		2.5025	3.0548	2.4953
H6	2.1421	1.0864	3.2934	2.5025	2.5025		1.7627	1.7627
H7	2.1464	1.0847	2.6322	2.4953	3.0548	1.7627		1.7607
H8	2.1464	1.0847	2.6322	3.0548	2.4953	1.7627	1.7607

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.091	C1	C2	H7	110.531
C1	C2	H8	110.531	C2	C1	F3	109.720
C2	C1	H4	111.513	C2	C1	H5	111.513
F3	C1	H4	107.504	F3	C1	H5	107.504
H4	C1	H5	108.923	H6	C2	H7	108.563
H6	C2	H8	108.563	H7	C2	H8	108.503

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: HF/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	0.211
2	C	-0.285
3	F	-0.360
4	H	0.072
5	H	0.072
6	H	0.086
7	H	0.101
8	H	0.101

	x	y	z	Total
	1.896	0.809	0.000	2.061
CHELPG
AIM
ESP

	x	y	z
x	3.476	-0.087	0.000
y	-0.087	3.482	0.000
z	0.000	0.000	3.338

<r²>	50.622
(<r²>)^1/2	7.115

All results from a given calculation for C2H5F (fluoroethane)

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

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)