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	hartrees
Energy at 0K	-475.172987
Energy at 298.15K	-475.176885
Nuclear repulsion energy	264.458019

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3104	2978	4.57
2	A'	1560	1496	4.07
3	A'	1463	1404	6.93
4	A'	1328	1274	130.87
5	A'	1206	1158	205.21
6	A'	1067	1024	48.36
7	A'	817	784	24.39
8	A'	624	599	39.37
9	A'	514	493	17.45
10	A'	389	374	1.97
11	A'	211	202	4.98
12	A"	3170	3041	6.59
13	A"	1344	1290	117.75
14	A"	1199	1151	42.98
15	A"	1009	968	56.57
16	A"	495	475	5.86
17	A"	342	328	2.30
18	A"	112	107	9.45

Atom	x (Å)	y (Å)	z (Å)
C1	0.350	0.199	0.000
C2	-1.166	0.259	0.000
F3	0.851	1.506	0.000
F4	0.851	-0.449	1.125
F5	0.851	-0.449	-1.125
F6	-1.671	-1.085	0.000
H7	-1.515	0.771	0.903
H8	-1.515	0.771	-0.903

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5177	1.3994	1.3910	1.3910	2.3947	2.1498	2.1498
C2	1.5177		2.3716	2.4154	2.4154	1.4353	1.0957	1.0957
F3	1.3994	2.3716		2.2548	2.2548	3.6156	2.6365	2.6365
F4	1.3910	2.4154	2.2548		2.2495	2.8340	2.6707	3.3463
F5	1.3910	2.4154	2.2548	2.2495		2.8340	3.3463	2.6707
F6	2.3947	1.4353	3.6156	2.8340	2.8340		2.0705	2.0705
H7	2.1498	1.0957	2.6365	2.6707	3.3463	2.0705		1.8070
H8	2.1498	1.0957	2.6365	3.3463	2.6707	2.0705	1.8070

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.345	C1	C2	H7	109.636
C1	C2	H8	109.636	C2	C1	F3	108.711
C2	C1	F4	112.206	C2	C1	F5	112.206
F3	C1	F4	107.809	F3	C1	F5	107.809
F4	C1	F5	107.918	F6	C2	H7	109.044
F6	C2	H8	109.044	H7	C2	H8	111.085

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

using model chemistry: CCD/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: CCD/6-31G

States and conformations

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