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	hartrees
Energy at 0K	-175.918360
Energy at 298.15K	-175.923742
HF Energy	-175.749125
Nuclear repulsion energy	76.917768

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3446	3446	2.20
2	A'	3282	3282	1.29
3	A'	3236	3236	11.68
4	A'	1692	1692	0.19
5	A'	1665	1665	1.14
6	A'	1575	1575	1.60
7	A'	1522	1522	15.05
8	A'	1228	1228	5.47
9	A'	1147	1147	3.77
10	A'	972	972	0.08
11	A'	405	405	1.41
12	A"	3447	3447	3.01
13	A"	3329	3329	12.42
14	A"	1676	1676	0.95
15	A"	1382	1382	0.14
16	A"	1233	1233	6.02
17	A"	857	857	0.24
18	A"	203	203	0.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.564	0.000
C2	1.158	-0.502	0.000
F3	-1.275	-0.060	0.000
H4	0.098	1.223	0.907
H5	0.098	1.223	-0.907
H6	2.143	0.012	0.000
H7	1.093	-1.147	0.902
H8	1.093	-1.147	-0.902

	C1	C2	F3	H4	H5	H6	H7	H8
C1		1.5739	1.4192	1.1250	1.1250	2.2133	2.2216	2.2216
C2	1.5739		2.4727	2.2177	2.2177	1.1112	1.1112	1.1112
F3	1.4192	2.4727		2.0862	2.0862	3.4189	2.7569	2.7569
H4	1.1250	2.2177	2.0862		1.8136	2.5435	2.5696	3.1426
H5	1.1250	2.2177	2.0862	1.8136		2.5435	3.1426	2.5696
H6	2.2133	1.1112	3.4189	2.5435	2.5435		1.8060	1.8060
H7	2.2216	1.1112	2.7569	2.5696	3.1426	1.8060		1.8045
H8	2.2216	1.1112	2.7569	3.1426	2.5696	1.8060	1.8045

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	109.835	C1	C2	H7	110.477
C1	C2	H8	110.477	C2	C1	F3	111.305
C2	C1	H4	109.392	C2	C1	H5	109.392
F3	C1	H4	109.621	F3	C1	H5	109.621
H4	C1	H5	107.426	H6	C2	H7	108.711
H6	C2	H8	108.711	H7	C2	H8	108.582

All results from a given calculation for C₂H₅F (fluoroethane)

using model chemistry: QCISD/STO-3G

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: QCISD/STO-3G

States and conformations

All results from a given calculation for C₂H₅F (fluoroethane)