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	hartrees
Energy at 0K	-475.716761
Energy at 298.15K	-475.720826
Nuclear repulsion energy	271.704869

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3108	2981	15.80
2	A'	1499	1438	10.99
3	A'	1481	1421	28.56
4	A'	1344	1289	164.67
5	A'	1246	1196	268.95
6	A'	1140	1094	89.64
7	A'	858	823	17.73
8	A'	672	644	34.10
9	A'	556	533	10.50
10	A'	415	398	0.73
11	A'	216	207	3.46
12	A"	3174	3045	17.48
13	A"	1347	1293	181.63
14	A"	1232	1182	56.61
15	A"	998	957	53.06
16	A"	539	517	3.54
17	A"	352	338	0.82
18	A"	108	103	5.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.361	0.193	0.000
C2	-1.156	0.239	0.000
F3	0.838	1.452	0.000
F4	0.838	-0.434	1.084
F5	0.838	-0.434	-1.084
F6	-1.651	-1.044	0.000
H7	-1.493	0.773	0.904
H8	-1.493	0.773	-0.904

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5185	1.3464	1.3400	1.3400	2.3622	2.1428	2.1428
C2	1.5185		2.3342	2.3675	2.3675	1.3750	1.1027	1.1027
F3	1.3464	2.3342		2.1760	2.1760	3.5249	2.5901	2.5901
F4	1.3400	2.3675	2.1760		2.1681	2.7821	2.6308	3.2927
F5	1.3400	2.3675	2.1760	2.1681		2.7821	3.2927	2.6308
F6	2.3622	1.3750	3.5249	2.7821	2.7821		2.0359	2.0359
H7	2.1428	1.1027	2.5901	2.6308	3.2927	2.0359		1.8083
H8	2.1428	1.1027	2.5901	3.2927	2.6308	2.0359	1.8083

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.346	C1	C2	H7	108.628
C1	C2	H8	108.628	C2	C1	F3	108.977
C2	C1	F4	111.681	C2	C1	F5	111.681
F3	C1	F4	108.196	F3	C1	F5	108.196
F4	C1	F5	107.992	F6	C2	H7	110.024
F6	C2	H8	110.024	H7	C2	H8	110.156

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

using model chemistry: QCISD/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: QCISD/cc-pVDZ

States and conformations

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