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	hartrees
Energy at 0K	-476.700691
Energy at 298.15K	-476.704508
HF Energy	-476.700691
Nuclear repulsion energy	268.001219

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	2989	2965	20.32
2	A'	1489	1477	2.49
3	A'	1419	1408	3.53
4	A'	1251	1241	151.64
5	A'	1135	1126	250.75
6	A'	1069	1060	71.03
7	A'	804	798	15.82
8	A'	628	623	25.02
9	A'	517	512	6.67
10	A'	388	385	0.51
11	A'	205	203	2.53
12	A"	3040	3015	25.77
13	A"	1282	1271	89.93
14	A"	1172	1162	81.02
15	A"	956	949	76.20
16	A"	500	496	1.14
17	A"	335	333	1.00
18	A"	103	102	3.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.374	0.198	0.000
C2	-1.165	0.233	0.000
F3	0.844	1.477	0.000
F4	0.844	-0.439	1.099
F5	0.844	-0.439	-1.099
F6	-1.671	-1.058	0.000
H7	-1.505	0.773	0.900
H8	-1.505	0.773	-0.900

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5392	1.3626	1.3550	1.3550	2.4000	2.1609	2.1609
C2	1.5392		2.3627	2.3867	2.3867	1.3871	1.1030	1.1030
F3	1.3626	2.3627		2.2094	2.2094	3.5711	2.6119	2.6119
F4	1.3550	2.3867	2.2094		2.1988	2.8135	2.6506	3.3141
F5	1.3550	2.3867	2.2094	2.1988		2.8135	3.3141	2.6506
F6	2.4000	1.3871	3.5711	2.8135	2.8135		2.0472	2.0472
H7	2.1609	1.1030	2.6119	2.6506	3.3141	2.0472		1.7998
H8	2.1609	1.1030	2.6119	3.3141	2.6506	2.0472	1.7998

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	110.087	C1	C2	H7	108.615
C1	C2	H8	108.615	C2	C1	F3	108.874
C2	C1	F4	110.946	C2	C1	F5	110.946
F3	C1	F4	108.782	F3	C1	F5	108.782
F4	C1	F5	108.461	F6	C2	H7	110.074
F6	C2	H8	110.074	H7	C2	H8	109.341

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	0.695
2	C	-0.032
3	F	-0.239
4	F	-0.229
5	F	-0.229
6	F	-0.263
7	H	0.149
8	H	0.149

	x	y	z	Total
	-1.062	1.311	0.000	1.688
CHELPG
AIM
ESP

	x	y	z
x	3.648	0.021	0.000
y	0.021	3.726	0.000
z	0.000	0.000	3.621

<r²>	136.292
(<r²>)^1/2	11.674

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

using model chemistry: BLYP/6-31G*

States and conformations

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