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	hartrees
Energy at 0K	-476.751303
Energy at 298.15K	-476.755079
Nuclear repulsion energy	266.709253

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3006	2990	13.75
2	A'	1449	1441	4.21
3	A'	1381	1373	3.98
4	A'	1222	1216	140.16
5	A'	1070	1064	294.56
6	A'	1025	1020	95.01
7	A'	786	782	21.29
8	A'	617	614	29.89
9	A'	508	505	6.44
10	A'	383	381	0.57
11	A'	209	208	3.10
12	A"	3069	3052	7.73
13	A"	1249	1243	76.06
14	A"	1128	1122	125.71
15	A"	923	919	101.11
16	A"	493	490	0.85
17	A"	331	330	1.62
18	A"	103	102	6.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.364	0.189	0.000
C2	-1.170	0.252	0.000
F3	0.857	1.476	0.000
F4	0.857	-0.447	1.105
F5	0.857	-0.447	-1.105
F6	-1.699	-1.048	0.000
H7	-1.509	0.775	0.907
H8	-1.509	0.775	-0.907

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5346	1.3783	1.3672	1.3672	2.4057	2.1612	2.1612
C2	1.5346		2.3678	2.4120	2.4120	1.4043	1.1004	1.1004
F3	1.3783	2.3678		2.2183	2.2183	3.5929	2.6288	2.6288
F4	1.3672	2.4120	2.2183		2.2091	2.8488	2.6703	3.3373
F5	1.3672	2.4120	2.2183	2.2091		2.8488	3.3373	2.6703
F6	2.4057	1.4043	3.5929	2.8488	2.8488		2.0456	2.0456
H7	2.1612	1.1004	2.6288	2.6703	3.3373	2.0456		1.8139
H8	2.1612	1.1004	2.6288	3.3373	2.6703	2.0456	1.8139

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.802	C1	C2	H7	109.096
C1	C2	H8	109.096	C2	C1	F3	108.634
C2	C1	F4	112.316	C2	C1	F5	112.316
F3	C1	F4	107.802	F3	C1	F5	107.802
F4	C1	F5	107.782	F6	C2	H7	108.909
F6	C2	H8	108.909	H7	C2	H8	111.016

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

using model chemistry: BLYP/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	0.775
2	C	-0.003
3	F	-0.280
4	F	-0.271
5	F	-0.271
6	F	-0.285
7	H	0.168
8	H	0.168

	x	y	z	Total
	-1.391	1.652	0.000	2.160
CHELPG
AIM
ESP

	x	y	z
x	4.574	0.114	0.000
y	0.114	4.681	0.000
z	0.000	0.000	4.414

<r²>	138.761
(<r²>)^1/2	11.780

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

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

States and conformations

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