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	hartrees
Energy at 0K	-179.003303
Energy at 298.15K	-179.008888
HF Energy	-179.003303
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3165	3002	25.58
2	A'	3082	2924	8.99
3	A'	3067	2909	51.76
4	A'	1559	1479	0.57
5	A'	1531	1452	2.26
6	A'	1472	1396	35.45
7	A'	1433	1360	2.91
8	A'	1162	1102	46.15
9	A'	1102	1045	53.47
10	A'	920	872	10.67
11	A'	415	394	5.80
12	A"	3171	3008	34.30
13	A"	3113	2952	39.96
14	A"	1517	1439	5.29
15	A"	1325	1257	0.02
16	A"	1209	1147	5.38
17	A"	816	774	0.73
18	A"	257	244	0.62

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.552	0.000
C2	1.115	-0.467	0.000
F3	-1.226	-0.081	0.000
H4	0.071	1.194	0.888
H5	0.071	1.194	-0.888
H6	2.086	0.040	0.000
H7	1.057	-1.105	0.887
H8	1.057	-1.105	-0.887

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5110	1.3801	1.0977	1.0977	2.1482	2.1567	2.1567
C2	1.5110		2.3731	2.1535	2.1535	1.0949	1.0942	1.0942
F3	1.3801	2.3731		2.0239	2.0239	3.3144	2.6550	2.6550
H4	1.0977	2.1535	2.0239		1.7757	2.4863	2.5015	3.0672
H5	1.0977	2.1535	2.0239	1.7757		2.4863	3.0672	2.5015
H6	2.1482	1.0949	3.3144	2.4863	2.4863		1.7762	1.7762
H7	2.1567	1.0942	2.6550	2.5015	3.0672	1.7762		1.7743
H8	2.1567	1.0942	2.6550	3.0672	2.5015	1.7762	1.7743

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.025	C1	C2	H7	110.739
C1	C2	H8	110.739	C2	C1	F3	110.256
C2	C1	H4	110.278	C2	C1	H5	110.278
F3	C1	H4	109.006	F3	C1	H5	109.006
H4	C1	H5	107.967	H6	C2	H7	108.465
H6	C2	H8	108.465	H7	C2	H8	108.336

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: wB97X-D/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	0.028
2	C	-0.534
3	F	-0.325
4	H	0.150
5	H	0.150
6	H	0.166
7	H	0.183
8	H	0.183

	x	y	z	Total
	1.635	0.654	0.000	1.761
CHELPG
AIM
ESP

	x	y	z
x	3.465	-0.068	0.000
y	-0.068	3.476	0.000
z	0.000	0.000	3.380

<r²>	50.922
(<r²>)^1/2	7.136

All results from a given calculation for C2H5F (fluoroethane)

using model chemistry: wB97X-D/6-31G*

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)