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	hartrees
Energy at 0K	-475.613816
Energy at 298.15K	-475.617834
Nuclear repulsion energy	271.207650

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3094	2977
2	A'	1547	1488
3	A'	1492	1435
4	A'	1353	1301
5	A'	1246	1198
6	A'	1133	1090
7	A'	858	825
8	A'	663	638
9	A'	545	525
10	A'	410	394
11	A'	215	207
12	A"	3158	3038
13	A"	1358	1306
14	A"	1237	1191
15	A"	1013	975
16	A"	526	506
17	A"	354	340
18	A"	112	108

Atom	x (Å)	y (Å)	z (Å)
C1	0.355	0.198	0.000
C2	-1.157	0.240	0.000
F3	0.833	1.465	0.000
F4	0.833	-0.432	1.089
F5	0.833	-0.432	-1.089
F6	-1.631	-1.062	0.000
H7	-1.501	0.762	0.900
H8	-1.501	0.762	-0.900

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5125	1.3539	1.3465	1.3465	2.3520	2.1382	2.1382
C2	1.5125		2.3372	2.3663	2.3663	1.3848	1.0963	1.0963
F3	1.3539	2.3372		2.1875	2.1875	3.5293	2.5986	2.5986
F4	1.3465	2.3663	2.1875		2.1790	2.7672	2.6285	3.2914
F5	1.3465	2.3663	2.1875	2.1790		2.7672	3.2914	2.6285
F6	2.3520	1.3848	3.5293	2.7672	2.7672		2.0378	2.0378
H7	2.1382	1.0963	2.5986	2.6285	3.2914	2.0378		1.8010
H8	2.1382	1.0963	2.5986	3.2914	2.6285	2.0378	1.8010

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.458	C1	C2	H7	109.051
C1	C2	H8	109.051	C2	C1	F3	109.123
C2	C1	F4	111.590	C2	C1	F5	111.590
F3	C1	F4	108.200	F3	C1	F5	108.200
F4	C1	F5	108.023	F6	C2	H7	109.894
F6	C2	H8	109.894	H7	C2	H8	110.453

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

using model chemistry: CCSD(T)/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: CCSD(T)/6-31G*

States and conformations

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