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	hartrees
Energy at 0K	-476.390250
Energy at 298.15K	-476.394252
HF Energy	-476.390250
Nuclear repulsion energy	271.796034

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3108	2968	12.49
2	A'	1493	1426	7.20
3	A'	1453	1387	21.42
4	A'	1312	1253	149.10
5	A'	1197	1143	295.65
6	A'	1130	1079	95.06
7	A'	853	814	17.62
8	A'	662	632	33.03
9	A'	544	519	8.87
10	A'	408	389	0.74
11	A'	216	206	3.23
12	A"	3177	3034	6.26
13	A"	1320	1260	148.64
14	A"	1209	1154	101.87
15	A"	982	937	59.11
16	A"	525	502	2.08
17	A"	349	333	1.66
18	A"	108	103	6.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.360	0.189	0.000
C2	-1.154	0.244	0.000
F3	0.841	1.448	0.000
F4	0.841	-0.437	1.083
F5	0.841	-0.437	-1.083
F6	-1.661	-1.033	0.000
H7	-1.490	0.768	0.899
H8	-1.490	0.768	-0.899

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5155	1.3477	1.3399	1.3399	2.3624	2.1366	2.1366
C2	1.5155		2.3305	2.3698	2.3698	1.3739	1.0932	1.0932
F3	1.3477	2.3305		2.1741	2.1741	3.5240	2.5889	2.5889
F4	1.3399	2.3698	2.1741		2.1654	2.7907	2.6300	3.2878
F5	1.3399	2.3698	2.1741	2.1654		2.7907	3.2878	2.6300
F6	2.3624	1.3739	3.5240	2.7907	2.7907		2.0202	2.0202
H7	2.1366	1.0932	2.5889	2.6300	3.2878	2.0202		1.7977
H8	2.1366	1.0932	2.5889	3.2878	2.6300	2.0202	1.7977

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.597	C1	C2	H7	108.898
C1	C2	H8	108.898	C2	C1	F3	108.828
C2	C1	F4	112.036	C2	C1	F5	112.036
F3	C1	F4	107.988	F3	C1	F5	107.988
F4	C1	F5	107.811	F6	C2	H7	109.410
F6	C2	H8	109.410	H7	C2	H8	110.611

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

using model chemistry: HSEh1PBE/6-31+G**

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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Number	Element	Mulliken
1	C	0.809
2	C	-0.023
3	F	-0.295
4	F	-0.289
5	F	-0.289
6	F	-0.290
7	H	0.188
8	H	0.188

	x	y	z	Total
	-1.389	1.656	0.000	2.161
CHELPG
AIM
ESP

	x	y	z
x	4.154	0.070	0.000
y	0.070	4.262	0.000
z	0.000	0.000	4.064

<r²>	134.012
(<r²>)^1/2	11.576

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

using model chemistry: HSEh1PBE/6-31+G**

States and conformations

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