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	hartrees
Energy at 0K	-468.300385
Energy at 298.15K	-468.303800
Nuclear repulsion energy	261.092225

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3345	2973	3.82
2	A'	1685	1498	0.12
3	A'	1540	1369	7.62
4	A'	1388	1234	77.81
5	A'	1276	1134	61.75
6	A'	1255	1115	26.70
7	A'	848	754	0.23
8	A'	623	554	20.43
9	A'	500	444	8.72
10	A'	378	336	1.28
11	A'	191	170	1.01
12	A"	3457	3073	4.02
13	A"	1461	1298	79.41
14	A"	1300	1156	6.17
15	A"	1026	912	6.31
16	A"	485	431	4.72
17	A"	316	281	0.20
18	A"	43	38	1.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.390	0.205	0.000
C2	-1.223	0.225	0.000
F3	0.882	1.508	0.000
F4	0.882	-0.447	1.127
F5	0.882	-0.447	-1.127
F6	-1.744	-1.076	0.000
H7	-1.557	0.787	0.905
H8	-1.557	0.787	-0.905

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.6133	1.3924	1.3914	1.3914	2.4887	2.2246	2.2246
C2	1.6133		2.4650	2.4802	2.4802	1.4010	1.1164	1.1164
F3	1.3924	2.4650		2.2558	2.2558	3.6835	2.6991	2.6991
F4	1.3914	2.4802	2.2558		2.2537	2.9257	2.7424	3.4056
F5	1.3914	2.4802	2.2558	2.2537		2.9257	3.4056	2.7424
F6	2.4887	1.4010	3.6835	2.9257	2.9257		2.0797	2.0797
H7	2.2246	1.1164	2.6991	2.7424	3.4056	2.0797		1.8092
H8	2.2246	1.1164	2.6991	3.4056	2.7424	2.0797	1.8092

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	111.112	C1	C2	H7	107.779
C1	C2	H8	107.779	C2	C1	F3	109.978
C2	C1	F4	111.052	C2	C1	F5	111.052
F3	C1	F4	108.253	F3	C1	F5	108.253
F4	C1	F5	108.158	F6	C2	H7	110.898
F6	C2	H8	110.898	H7	C2	H8	108.239

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

using model chemistry: MP2=FULL/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 CF3CH2F (1,1,1,2-tetrafluoroethane)

using model chemistry: MP2=FULL/STO-3G

States and conformations

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