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	hartrees
Energy at 0K	-108.503670
Energy at 298.15K	-108.507648
Nuclear repulsion energy	152.548019

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3156	2996	22.15
2	A'	1525	1448	11.17
3	A'	1483	1408	17.85
4	A'	1330	1262	134.61
5	A'	1196	1136	300.96
6	A'	1115	1059	93.09
7	A'	846	803	22.25
8	A'	658	624	33.97
9	A'	542	515	9.47
10	A'	406	385	0.75
11	A'	217	206	3.79
12	A"	3243	3079	15.88
13	A"	1329	1262	142.39
14	A"	1215	1153	97.75
15	A"	996	946	72.26
16	A"	525	499	2.60
17	A"	346	329	1.16
18	A"	109	104	7.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.363	0.193	0.000
C2	-1.172	0.248	0.000
F3	0.848	1.465	0.000
F4	0.848	-0.439	1.094
F5	0.848	-0.439	-1.094
F6	-1.670	-1.052	0.000
H7	-1.510	0.767	0.910
H8	-1.510	0.767	-0.910

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5365	1.3617	1.3531	1.3531	2.3837	2.1605	2.1605
C2	1.5365		2.3588	2.3984	2.3984	1.3920	1.1007	1.1007
F3	1.3617	2.3588		2.1957	2.1957	3.5603	2.6227	2.6227
F4	1.3531	2.3984	2.1957		2.1880	2.8132	2.6555	3.3217
F5	1.3531	2.3984	2.1957	2.1880		2.8132	3.3217	2.6555
F6	2.3837	1.3920	3.5603	2.8132	2.8132		2.0402	2.0402
H7	2.1605	1.1007	2.6227	2.6555	3.3217	2.0402		1.8200
H8	2.1605	1.1007	2.6227	3.3217	2.6555	2.0402	1.8200

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.869	C1	C2	H7	108.894
C1	C2	H8	108.894	C2	C1	F3	108.804
C2	C1	F4	112.040	C2	C1	F5	112.040
F3	C1	F4	107.952	F3	C1	F5	107.952
F4	C1	F5	107.896	F6	C2	H7	109.308
F6	C2	H8	109.308	H7	C2	H8	111.526

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

using model chemistry: MP2/CEP-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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All results from a given calculation for CF3CH2F (1,1,1,2-tetrafluoroethane)

using model chemistry: MP2/CEP-31G*

States and conformations

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