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	hartrees
Energy at 0K	-178.598012
Energy at 298.15K	-178.603617
HF Energy	-178.089160
Nuclear repulsion energy	78.901845

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3167	3030	23.45
2	A'	3081	2947	17.09
3	A'	3074	2941	38.41
4	A'	1531	1465	0.43
5	A'	1504	1439	1.90
6	A'	1453	1390	34.68
7	A'	1406	1345	0.97
8	A'	1153	1103	63.68
9	A'	1116	1068	30.12
10	A'	912	873	12.61
11	A'	411	394	5.88
12	A"	3176	3039	33.11
13	A"	3127	2992	33.27
14	A"	1483	1419	3.99
15	A"	1314	1257	0.44
16	A"	1203	1151	5.64
17	A"	813	778	0.16
18	A"	265	253	0.80

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.558	0.000
C2	1.122	-0.466	0.000
F3	-1.228	-0.088	0.000
H4	0.048	1.203	0.897
H5	0.048	1.203	-0.897
H6	2.103	0.043	0.000
H7	1.058	-1.108	0.896
H8	1.058	-1.108	-0.896

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5196	1.3873	1.1056	1.1056	2.1648	2.1673	2.1673
C2	1.5196		2.3803	2.1786	2.1786	1.1046	1.1035	1.1035
F3	1.3873	2.3803		2.0242	2.0242	3.3328	2.6583	2.6583
H4	1.1056	2.1786	2.0242		1.7937	2.5246	2.5222	3.0942
H5	1.1056	2.1786	2.0242	1.7937		2.5246	3.0942	2.5222
H6	2.1648	1.1046	3.3328	2.5246	2.5246		1.7937	1.7937
H7	2.1673	1.1035	2.6583	2.5222	3.0942	1.7937		1.7911
H8	2.1673	1.1035	2.6583	3.0942	2.5222	1.7937	1.7911

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.160	C1	C2	H7	110.421
C1	C2	H8	110.421	C2	C1	F3	109.850
C2	C1	H4	111.189	C2	C1	H5	111.189
F3	C1	H4	108.042	F3	C1	H5	108.042
H4	C1	H5	108.418	H6	C2	H7	108.645
H6	C2	H8	108.645	H7	C2	H8	108.495

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: CCD/cc-pVDZ

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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All results from a given calculation for C2H5F (fluoroethane)

using model chemistry: CCD/cc-pVDZ

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)