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	hartrees
Energy at 0K	-475.706438
Energy at 298.15K	-475.710532
Nuclear repulsion energy	272.205955

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3117	2982	14.53
2	A'	1504	1439	13.47
3	A'	1492	1427	29.29
4	A'	1354	1295	175.68
5	A'	1265	1210	264.39
6	A'	1159	1109	89.48
7	A'	867	829	16.82
8	A'	678	649	35.17
9	A'	561	537	10.93
10	A'	418	400	0.77
11	A'	218	208	3.48
12	A"	3184	3046	16.37
13	A"	1361	1302	193.85
14	A"	1241	1187	50.06
15	A"	1003	959	49.18
16	A"	544	520	3.77
17	A"	355	339	0.87
18	A"	109	104	5.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.362	0.193	0.000
C2	-1.156	0.238	0.000
F3	0.837	1.449	0.000
F4	0.837	-0.433	1.082
F5	0.837	-0.433	-1.082
F6	-1.648	-1.042	0.000
H7	-1.492	0.772	0.904
H8	-1.492	0.772	-0.904

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5181	1.3429	1.3369	1.3369	2.3593	2.1420	2.1420
C2	1.5181		2.3317	2.3642	2.3642	1.3715	1.1022	1.1022
F3	1.3429	2.3317		2.1708	2.1708	3.5188	2.5879	2.5879
F4	1.3369	2.3642	2.1708		2.1632	2.7778	2.6281	3.2887
F5	1.3369	2.3642	2.1708	2.1632		2.7778	3.2887	2.6281
F6	2.3593	1.3715	3.5188	2.7778	2.7778		2.0329	2.0329
H7	2.1420	1.1022	2.5879	2.6281	3.2887	2.0329		1.8071
H8	2.1420	1.1022	2.5879	3.2887	2.6281	2.0329	1.8071

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.357	C1	C2	H7	108.615
C1	C2	H8	108.615	C2	C1	F3	109.020
C2	C1	F4	111.648	C2	C1	F5	111.648
F3	C1	F4	108.205	F3	C1	F5	108.205
F4	C1	F5	107.998	F6	C2	H7	110.052
F6	C2	H8	110.052	H7	C2	H8	110.115

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

using model chemistry: CCD/cc-pVDZ

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: CCD/cc-pVDZ

States and conformations

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