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	hartrees
Energy at 0K	-474.686382
Energy at 298.15K	-474.690695
Nuclear repulsion energy	276.973464

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3230	2925	17.87
2	A'	1632	1478	10.93
3	A'	1604	1452	18.49
4	A'	1444	1308	187.02
5	A'	1357	1229	264.05
6	A'	1239	1122	108.39
7	A'	929	841	14.14
8	A'	729	660	39.65
9	A'	600	543	11.72
10	A'	448	405	0.72
11	A'	233	211	3.41
12	A"	3291	2980	22.34
13	A"	1458	1320	187.80
14	A"	1339	1212	48.01
15	A"	1086	983	50.93
16	A"	584	529	3.67
17	A"	379	343	1.05
18	A"	119	108	6.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.360	0.192	0.000
C2	-1.151	0.232	0.000
F3	0.826	1.421	0.000
F4	0.826	-0.421	1.059
F5	0.826	-0.421	-1.059
F6	-1.619	-1.029	0.000
H7	-1.489	0.751	0.887
H8	-1.489	0.751	-0.887

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5115	1.3140	1.3092	1.3092	2.3260	2.1255	2.1255
C2	1.5115		2.3069	2.3354	2.3354	1.3449	1.0823	1.0823
F3	1.3140	2.3069		2.1246	2.1246	3.4615	2.5677	2.5677
F4	1.3092	2.3354	2.1246		2.1177	2.7332	2.6001	3.2432
F5	1.3092	2.3354	2.1246	2.1177		2.7332	3.2432	2.6001
F6	2.3260	1.3449	3.4615	2.7332	2.7332		1.9934	1.9934
H7	2.1255	1.0823	2.5677	2.6001	3.2432	1.9934		1.7744
H8	2.1255	1.0823	2.5677	3.2432	2.6001	1.9934	1.7744

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.905	C1	C2	H7	108.941
C1	C2	H8	108.941	C2	C1	F3	109.270
C2	C1	F4	111.577	C2	C1	F5	111.577
F3	C1	F4	108.176	F3	C1	F5	108.176
F4	C1	F5	107.947	F6	C2	H7	109.953
F6	C2	H8	109.953	H7	C2	H8	110.116

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

using model chemistry: HF/6-31G(2df,p)

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	0.615
2	C	-0.058
3	F	-0.207
4	F	-0.202
5	F	-0.202
6	F	-0.260
7	H	0.158
8	H	0.158

	x	y	z	Total
	-1.268	1.538	0.000	1.994
CHELPG
AIM
ESP

	x	y	z
x	3.556	0.005	0.000
y	0.005	3.542	0.000
z	0.000	0.000	3.507

<r²>	129.289
(<r²>)^1/2	11.371

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

using model chemistry: HF/6-31G(2df,p)

States and conformations

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