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	hartrees
Energy at 0K	-474.430655
Energy at 298.15K	-474.434489
Nuclear repulsion energy	268.217064

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3027	2966	6.53
2	A'	1474	1444	7.87
3	A'	1416	1387	23.78
4	A'	1310	1283	127.65
5	A'	1172	1148	231.84
6	A'	1089	1066	34.39
7	A'	831	814	19.43
8	A'	623	610	29.62
9	A'	515	505	13.95
10	A'	385	377	1.37
11	A'	197	193	3.85
12	A"	3093	3030	5.86
13	A"	1305	1278	124.89
14	A"	1165	1142	57.14
15	A"	972	952	48.48
16	A"	490	480	3.14
17	A"	332	325	2.19
18	A"	106	104	6.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.348	0.192	0.000
C2	-1.141	0.253	0.000
F3	0.839	1.483	0.000
F4	0.839	-0.451	1.109
F5	0.839	-0.451	-1.109
F6	-1.659	-1.053	0.000
H7	-1.477	0.791	0.902
H8	-1.477	0.791	-0.902

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.4901	1.3812	1.3721	1.3721	2.3614	2.1221	2.1221
C2	1.4901		2.3309	2.3755	2.3755	1.4047	1.1027	1.1027
F3	1.3812	2.3309		2.2286	2.2286	3.5593	2.5801	2.5801
F4	1.3721	2.3755	2.2286		2.2173	2.7982	2.6359	3.3086
F5	1.3721	2.3755	2.2286	2.2173		2.7982	3.3086	2.6359
F6	2.3614	1.4047	3.5593	2.7982	2.7982		2.0607	2.0607
H7	2.1221	1.1027	2.5801	2.6359	3.3086	2.0607		1.8036
H8	2.1221	1.1027	2.5801	3.3086	2.6359	2.0607	1.8036

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.282	C1	C2	H7	108.944
C1	C2	H8	108.944	C2	C1	F3	108.482
C2	C1	F4	112.125	C2	C1	F5	112.125
F3	C1	F4	108.079	F3	C1	F5	108.079
F4	C1	F5	107.801	F6	C2	H7	109.954
F6	C2	H8	109.954	H7	C2	H8	109.739

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

using model chemistry: LSDA/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	0.585
2	C	-0.095
3	F	-0.224
4	F	-0.212
5	F	-0.212
6	F	-0.270
7	H	0.214
8	H	0.214

	x	y	z	Total
	-1.452	1.728	0.000	2.257
CHELPG
AIM
ESP

	x	y	z
x	3.123	0.043	0.000
y	0.043	3.502	0.000
z	0.000	0.000	3.313

<r²>	136.050
(<r²>)^1/2	11.664

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

using model chemistry: LSDA/6-31G

States and conformations

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