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	hartrees
Energy at 0K	-475.174660
Energy at 298.15K	-475.178531
Nuclear repulsion energy	263.739048

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3148	2991	4.41
2	A'	1577	1499	4.33
3	A'	1469	1396	5.38
4	A'	1323	1257	127.14
5	A'	1166	1108	219.43
6	A'	1045	993	47.53
7	A'	809	769	28.65
8	A'	617	586	35.75
9	A'	510	485	15.80
10	A'	385	366	1.79
11	A'	210	199	4.96
12	A"	3224	3063	5.27
13	A"	1335	1268	96.29
14	A"	1193	1133	54.12
15	A"	1001	951	78.39
16	A"	490	466	4.66
17	A"	340	323	2.37
18	A"	114	108	9.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.348	0.199	0.000
C2	-1.164	0.261	0.000
F3	0.852	1.513	0.000
F4	0.852	-0.452	1.129
F5	0.852	-0.452	-1.129
F6	-1.675	-1.087	0.000
H7	-1.510	0.771	0.901
H8	-1.510	0.771	-0.901

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5132	1.4073	1.3971	1.3971	2.3973	2.1431	2.1431
C2	1.5132		2.3725	2.4178	2.4178	1.4423	1.0917	1.0917
F3	1.4073	2.3725		2.2659	2.2659	3.6257	2.6345	2.6345
F4	1.3971	2.4178	2.2659		2.2588	2.8397	2.6694	3.3460
F5	1.3971	2.4178	2.2659	2.2588		2.8397	3.3460	2.6694
F6	2.3973	1.4423	3.6257	2.8397	2.8397		2.0720	2.0720
H7	2.1431	1.0917	2.6345	2.6694	3.3460	2.0720		1.8019
H8	2.1431	1.0917	2.6345	3.3460	2.6694	2.0720	1.8019

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.392	C1	C2	H7	109.657
C1	C2	H8	109.657	C2	C1	F3	108.597
C2	C1	F4	112.294	C2	C1	F5	112.294
F3	C1	F4	107.795	F3	C1	F5	107.795
F4	C1	F5	107.878	F6	C2	H7	108.921
F6	C2	H8	108.921	H7	C2	H8	111.238

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

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G

States and conformations

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