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	hartrees
Energy at 0K	-179.072092
Energy at 298.15K	-179.077643
HF Energy	-179.072092
Nuclear repulsion energy	79.135732

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3116	3007	28.66
2	A'	3041	2934	11.25
3	A'	3019	2914	50.02
4	A'	1535	1482	0.19
5	A'	1510	1457	1.05
6	A'	1434	1384	27.00
7	A'	1404	1355	0.46
8	A'	1133	1093	38.26
9	A'	1074	1036	55.92
10	A'	892	861	9.51
11	A'	395	381	4.64
12	A"	3129	3019	36.56
13	A"	3060	2953	38.34
14	A"	1495	1443	3.29
15	A"	1302	1256	0.08
16	A"	1197	1155	4.18
17	A"	800	772	0.49
18	A"	253	244	0.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.553	0.000
C2	1.117	-0.471	0.000
F3	-1.228	-0.077	0.000
H4	0.071	1.196	0.888
H5	0.071	1.196	-0.888
H6	2.088	0.035	0.000
H7	1.060	-1.110	0.887
H8	1.060	-1.110	-0.887

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5155	1.3802	1.0990	1.0990	2.1509	2.1621	2.1621
C2	1.5155		2.3779	2.1596	2.1596	1.0951	1.0945	1.0945
F3	1.3802	2.3779		2.0241	2.0241	3.3177	2.6625	2.6625
H4	1.0990	2.1596	2.0241		1.7766	2.4908	2.5089	3.0736
H5	1.0990	2.1596	2.0241	1.7766		2.4908	3.0736	2.5089
H6	2.1509	1.0951	3.3177	2.4908	2.4908		1.7760	1.7760
H7	2.1621	1.0945	2.6625	2.5089	3.0736	1.7760		1.7746
H8	2.1621	1.0945	2.6625	3.0736	2.5089	1.7760	1.7746

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.916	C1	C2	H7	110.842
C1	C2	H8	110.842	C2	C1	F3	110.319
C2	C1	H4	110.368	C2	C1	H5	110.368
F3	C1	H4	108.935	F3	C1	H5	108.935
H4	C1	H5	107.859	H6	C2	H7	108.415
H6	C2	H8	108.415	H7	C2	H8	108.335

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: TPSSh/6-31G(2df,p)

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: TPSSh/6-31G(2df,p)

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)