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	hartrees
Energy at 0K	-178.085402
Energy at 298.15K	-178.091110
Nuclear repulsion energy	79.808509

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3262	2945	45.32
2	A'	3214	2901	40.13
3	A'	3191	2880	22.41
4	A'	1665	1503	0.42
5	A'	1629	1471	2.22
6	A'	1576	1422	34.87
7	A'	1533	1383	2.69
8	A'	1236	1115	61.19
9	A'	1166	1053	59.40
10	A'	967	873	15.88
11	A'	440	397	7.27
12	A"	3280	2960	79.81
13	A"	3251	2935	13.65
14	A"	1609	1453	3.09
15	A"	1415	1277	0.36
16	A"	1303	1176	6.42
17	A"	873	788	0.06
18	A"	274	248	0.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.557	0.000
C2	1.112	-0.467	0.000
F3	-1.214	-0.083	0.000
H4	0.042	1.188	0.880
H5	0.042	1.188	-0.880
H6	2.079	0.028	0.000
H7	1.047	-1.098	0.880
H8	1.047	-1.098	-0.880

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5114	1.3724	1.0841	1.0841	2.1448	2.1466	2.1466
C2	1.5114		2.3579	2.1581	2.1581	1.0858	1.0843	1.0843
F3	1.3724	2.3579		1.9920	1.9920	3.2947	2.6306	2.6306
H4	1.0841	2.1581	1.9920		1.7609	2.5035	2.4967	3.0548
H5	1.0841	2.1581	1.9920	1.7609		2.5035	3.0548	2.4967
H6	2.1448	1.0858	3.2947	2.5035	2.5035		1.7616	1.7616
H7	2.1466	1.0843	2.6306	2.4967	3.0548	1.7616		1.7593
H8	2.1466	1.0843	2.6306	3.0548	2.4967	1.7616	1.7593

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.267	C1	C2	H7	110.499
C1	C2	H8	110.499	C2	C1	F3	109.607
C2	C1	H4	111.445	C2	C1	H5	111.445
F3	C1	H4	107.797	F3	C1	H5	107.797
H4	C1	H5	108.612	H6	C2	H7	108.539
H6	C2	H8	108.539	H7	C2	H8	108.434

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: HF/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	0.212
2	C	-0.376
3	F	-0.417
4	H	0.102
5	H	0.102
6	H	0.113
7	H	0.132
8	H	0.132

	x	y	z	Total
	1.810	0.761	0.000	1.964
CHELPG
AIM
ESP

	x	y	z
x	3.323	-0.061	0.000
y	-0.061	3.365	0.000
z	0.000	0.000	3.299

<r²>	50.576
(<r²>)^1/2	7.112

All results from a given calculation for C2H5F (fluoroethane)

using model chemistry: HF/6-31G**

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)