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	hartrees
Energy at 0K	-475.668539
Energy at 298.15K	-475.672575
Nuclear repulsion energy	270.802726

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3180	2987	10.78
2	A'	1545	1451	7.24
3	A'	1483	1393	17.20
4	A'	1334	1253	128.37
5	A'	1193	1120	297.16
6	A'	1113	1045	88.91
7	A'	850	798	22.97
8	A'	659	619	33.31
9	A'	542	509	9.22
10	A'	409	384	0.77
11	A'	219	206	3.60
12	A"	3262	3064	4.37
13	A"	1335	1254	122.64
14	A"	1218	1144	108.04
15	A"	1000	939	74.31
16	A"	523	491	2.42
17	A"	355	333	1.63
18	A"	120	113	6.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.355	0.194	0.000
C2	-1.155	0.245	0.000
F3	0.838	1.463	0.000
F4	0.838	-0.436	1.091
F5	0.838	-0.436	-1.091
F6	-1.648	-1.053	0.000
H7	-1.493	0.757	0.897
H8	-1.493	0.757	-0.897

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5104	1.3577	1.3489	1.3489	2.3591	2.1294	2.1294
C2	1.5104		2.3356	2.3711	2.3711	1.3883	1.0866	1.0866
F3	1.3577	2.3356		2.1899	2.1899	3.5367	2.5954	2.5954
F4	1.3489	2.3711	2.1899		2.1811	2.7833	2.6251	3.2869
F5	1.3489	2.3711	2.1899	2.1811		2.7833	3.2869	2.6251
F6	2.3591	1.3883	3.5367	2.7833	2.7833		2.0256	2.0256
H7	2.1294	1.0866	2.5954	2.6251	3.2869	2.0256		1.7937
H8	2.1294	1.0866	2.5954	3.2869	2.6251	2.0256	1.7937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.877	C1	C2	H7	109.074
C1	C2	H8	109.074	C2	C1	F3	108.928
C2	C1	F4	111.925	C2	C1	F5	111.925
F3	C1	F4	108.013	F3	C1	F5	108.013
F4	C1	F5	107.888	F6	C2	H7	109.263
F6	C2	H8	109.263	H7	C2	H8	111.254

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

using model chemistry: MP2=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

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