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	hartrees
Energy at 0K	-475.885923
Energy at 298.15K	-475.890010
Nuclear repulsion energy	274.052387

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3131	2957	11.99
2	A'	1528	1443	5.48
3	A'	1489	1406	25.13
4	A'	1348	1274	134.45
5	A'	1253	1183	241.37
6	A'	1159	1095	62.54
7	A'	872	824	13.28
8	A'	677	639	28.81
9	A'	559	528	8.13
10	A'	417	394	0.58
11	A'	214	203	2.69
12	A"	3203	3026	10.39
13	A"	1355	1280	137.72
14	A"	1244	1175	59.18
15	A"	1010	954	44.92
16	A"	540	510	2.30
17	A"	355	335	0.96
18	A"	115	108	4.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.357	0.199	0.000
C2	-1.154	0.232	0.000
F3	0.825	1.449	0.000
F4	0.825	-0.426	1.076
F5	0.825	-0.426	-1.076
F6	-1.612	-1.053	0.000
H7	-1.495	0.755	0.895
H8	-1.495	0.755	-0.895

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5111	1.3352	1.3297	1.3297	2.3334	2.1306	2.1306
C2	1.5111		2.3237	2.3469	2.3469	1.3641	1.0912	1.0912
F3	1.3352	2.3237		2.1619	2.1619	3.4934	2.5824	2.5824
F4	1.3297	2.3469	2.1619		2.1524	2.7376	2.6097	3.2655
F5	1.3297	2.3469	2.1619	2.1524		2.7376	3.2655	2.6097
F6	2.3334	1.3641	3.4934	2.7376	2.7376		2.0203	2.0203
H7	2.1306	1.0912	2.5824	2.6097	3.2655	2.0203		1.7900
H8	2.1306	1.0912	2.5824	3.2655	2.6097	2.0203	1.7900

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.394	C1	C2	H7	108.851
C1	C2	H8	108.851	C2	C1	F3	109.297
C2	C1	F4	111.255	C2	C1	F5	111.255
F3	C1	F4	108.437	F3	C1	F5	108.437
F4	C1	F5	108.072	F6	C2	H7	110.243
F6	C2	H8	110.243	H7	C2	H8	110.211

All results from a given calculation for CF₃CH₂F (1,1,1,2-tetrafluoroethane)

using model chemistry: MP2/6-31G(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 CF3CH2F (1,1,1,2-tetrafluoroethane)

using model chemistry: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for CF₃CH₂F (1,1,1,2-tetrafluoroethane)