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	hartrees
Energy at 0K	-178.867824
Energy at 298.15K	-178.873431
HF Energy	-178.726713
Nuclear repulsion energy	79.107423

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3169	3008	25.94
2	A'	3093	2936	7.19
3	A'	3087	2930	47.93
4	A'	1579	1499	0.21
5	A'	1550	1472	2.11
6	A'	1476	1401	32.88
7	A'	1445	1371	3.86
8	A'	1159	1100	29.68
9	A'	1097	1042	59.47
10	A'	916	870	13.37
11	A'	410	389	5.88
12	A"	3182	3020	35.98
13	A"	3132	2973	34.85
14	A"	1534	1456	4.37
15	A"	1327	1260	0.00
16	A"	1222	1160	4.91
17	A"	829	787	0.45
18	A"	273	259	0.66

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.555	0.000
C2	1.118	-0.462	0.000
F3	-1.228	-0.089	0.000
H4	0.068	1.196	0.886
H5	0.068	1.196	-0.886
H6	2.087	0.045	0.000
H7	1.060	-1.099	0.886
H8	1.060	-1.099	-0.886

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5110	1.3864	1.0962	1.0962	2.1487	2.1547	2.1547
C2	1.5110		2.3758	2.1531	2.1531	1.0938	1.0928	1.0928
F3	1.3864	2.3758		2.0290	2.0290	3.3183	2.6537	2.6537
H4	1.0962	2.1531	2.0290		1.7728	2.4873	2.5000	3.0645
H5	1.0962	2.1531	2.0290	1.7728		2.4873	3.0645	2.5000
H6	2.1487	1.0938	3.3183	2.4873	2.4873		1.7745	1.7745
H7	2.1547	1.0928	2.6537	2.5000	3.0645	1.7745		1.7719
H8	2.1547	1.0928	2.6537	3.0645	2.5000	1.7745	1.7719

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.124	C1	C2	H7	110.667
C1	C2	H8	110.667	C2	C1	F3	110.091
C2	C1	H4	110.328	C2	C1	H5	110.328
F3	C1	H4	109.068	F3	C1	H5	109.068
H4	C1	H5	107.911	H6	C2	H7	108.492
H6	C2	H8	108.492	H7	C2	H8	108.330

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: B2PLYP/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	0.060
2	C	-0.490
3	F	-0.335
4	H	0.138
5	H	0.138
6	H	0.152
7	H	0.169
8	H	0.169

	x	y	z	Total
	1.639	0.678	0.000	1.774
CHELPG
AIM
ESP

	x	y	z
x	3.451	-0.052	0.000
y	-0.052	3.421	0.000
z	0.000	0.000	3.324

<r²>	51.111
(<r²>)^1/2	7.149

All results from a given calculation for C2H5F (fluoroethane)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)