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	hartrees
Energy at 0K	-475.455399
Energy at 298.15K	-475.459585
Nuclear repulsion energy	274.173562

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3233	2986	11.79
2	A'	1611	1488	8.28
3	A'	1570	1450	27.80
4	A'	1420	1311	163.90
5	A'	1320	1219	274.01
6	A'	1203	1112	88.18
7	A'	905	836	19.12
8	A'	699	646	37.01
9	A'	574	530	11.79
10	A'	431	398	0.88
11	A'	226	209	3.66
12	A"	3299	3047	14.84
13	A"	1428	1319	183.64
14	A"	1299	1200	48.28
15	A"	1062	981	53.48
16	A"	555	513	3.73
17	A"	371	343	1.38
18	A"	118	109	6.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.354	0.195	0.000
C2	-1.149	0.237	0.000
F3	0.827	1.445	0.000
F4	0.827	-0.427	1.076
F5	0.827	-0.427	-1.076
F6	-1.620	-1.047	0.000
H7	-1.490	0.754	0.891
H8	-1.490	0.754	-0.891

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5040	1.3363	1.3297	1.3297	2.3321	2.1232	2.1232
C2	1.5040		2.3164	2.3461	2.3461	1.3671	1.0849	1.0849
F3	1.3363	2.3164		2.1590	2.1590	3.4923	2.5773	2.5773
F4	1.3297	2.3461	2.1590		2.1516	2.7439	2.6075	3.2607
F5	1.3297	2.3461	2.1590	2.1516		2.7439	3.2607	2.6075
F6	2.3321	1.3671	3.4923	2.7439	2.7439		2.0129	2.0129
H7	2.1232	1.0849	2.5773	2.6075	3.2607	2.0129		1.7816
H8	2.1232	1.0849	2.5773	3.2607	2.6075	2.0129	1.7816

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.544	C1	C2	H7	109.115
C1	C2	H8	109.115	C2	C1	F3	109.143
C2	C1	F4	111.623	C2	C1	F5	111.623
F3	C1	F4	108.161	F3	C1	F5	108.161
F4	C1	F5	108.009	F6	C2	H7	109.821
F6	C2	H8	109.821	H7	C2	H8	110.390

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

using model chemistry: CID/6-31G*

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: CID/6-31G*

States and conformations

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