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	hartrees
Energy at 0K	-476.921520
Energy at 298.15K	-476.925512
Nuclear repulsion energy	271.180568

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3068	2966	14.26
2	A'	1491	1442	4.44
3	A'	1446	1398	15.54
4	A'	1297	1254	165.16
5	A'	1168	1129	290.57
6	A'	1100	1064	92.45
7	A'	837	809	18.75
8	A'	657	635	32.91
9	A'	543	525	8.46
10	A'	406	393	0.68
11	A'	216	209	3.41
12	A"	3128	3024	13.01
13	A"	1309	1265	112.48
14	A"	1198	1158	105.89
15	A"	973	940	78.97
16	A"	526	509	1.98
17	A"	349	337	1.12
18	A"	104	100	5.83

Atom	x (Å)	y (Å)	z (Å)
C1	0.361	0.190	0.000
C2	-1.156	0.243	0.000
F3	0.842	1.453	0.000
F4	0.842	-0.437	1.085
F5	0.842	-0.437	-1.085
F6	-1.665	-1.038	0.000
H7	-1.489	0.768	0.898
H8	-1.489	0.768	-0.898

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5178	1.3512	1.3430	1.3430	2.3695	2.1355	2.1355
C2	1.5178		2.3361	2.3736	2.3736	1.3787	1.0918	1.0918
F3	1.3512	2.3361		2.1797	2.1797	3.5346	2.5901	2.5901
F4	1.3430	2.3736	2.1797		2.1706	2.7975	2.6309	3.2891
F5	1.3430	2.3736	2.1797	2.1706		2.7975	3.2891	2.6309
F6	2.3695	1.3787	3.5346	2.7975	2.7975		2.0247	2.0247
H7	2.1355	1.0918	2.5901	2.6309	3.2891	2.0247		1.7950
H8	2.1355	1.0918	2.5901	3.2891	2.6309	2.0247	1.7950

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.687	C1	C2	H7	108.741
C1	C2	H8	108.741	C2	C1	F3	108.886
C2	C1	F4	111.988	C2	C1	F5	111.988
F3	C1	F4	108.000	F3	C1	F5	108.000
F4	C1	F5	107.829	F6	C2	H7	109.532
F6	C2	H8	109.532	H7	C2	H8	110.589

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

using model chemistry: B3LYP/6-311G**

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	0.562
2	C	0.041
3	F	-0.209
4	F	-0.196
5	F	-0.196
6	F	-0.252
7	H	0.124
8	H	0.124

	x	y	z	Total
	-1.282	1.539	0.000	2.003
CHELPG
AIM
ESP

	x	y	z
x	3.467	0.023	0.000
y	0.023	3.581	0.000
z	0.000	0.000	3.441

<r²>	134.271
(<r²>)^1/2	11.588

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

using model chemistry: B3LYP/6-311G**

States and conformations

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