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	hartrees
Energy at 0K	-474.683811
Energy at 298.15K	-474.688106
Nuclear repulsion energy	275.802446

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3261	2961	15.14
2	A'	1612	1464	34.77
3	A'	1592	1446	14.44
4	A'	1441	1308	204.65
5	A'	1341	1217	324.92
6	A'	1216	1104	130.60
7	A'	920	836	21.36
8	A'	723	657	44.99
9	A'	596	542	14.13
10	A'	446	405	0.90
11	A'	233	211	4.32
12	A"	3329	3023	17.47
13	A"	1447	1314	231.17
14	A"	1319	1198	61.19
15	A"	1075	976	62.81
16	A"	580	527	4.73
17	A"	379	344	1.17
18	A"	114	103	7.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.357	0.190	0.000
C2	-1.148	0.237	0.000
F3	0.829	1.426	0.000
F4	0.829	-0.425	1.064
F5	0.829	-0.425	-1.064
F6	-1.631	-1.028	0.000
H7	-1.484	0.758	0.893
H8	-1.484	0.758	-0.893

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5056	1.3230	1.3170	1.3170	2.3315	2.1238	2.1238
C2	1.5056		2.3066	2.3409	2.3409	1.3546	1.0871	1.0871
F3	1.3230	2.3066		2.1355	2.1355	3.4748	2.5681	2.5681
F4	1.3170	2.3409	2.1355		2.1288	2.7472	2.6041	3.2531
F5	1.3170	2.3409	2.1355	2.1288		2.7472	3.2531	2.6041
F6	2.3315	1.3546	3.4748	2.7472	2.7472		2.0024	2.0024
H7	2.1238	1.0871	2.5681	2.6041	3.2531	2.0024		1.7859
H8	2.1238	1.0871	2.5681	3.2531	2.6041	2.0024	1.7859

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.094	C1	C2	H7	108.933
C1	C2	H8	108.933	C2	C1	F3	109.100
C2	C1	F4	111.891	C2	C1	F5	111.891
F3	C1	F4	107.981	F3	C1	F5	107.981
F4	C1	F5	107.846	F6	C2	H7	109.699
F6	C2	H8	109.699	H7	C2	H8	110.454

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

using model chemistry: HF/cc-pVDZ

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	0.698
2	C	0.281
3	F	-0.267
4	F	-0.254
5	F	-0.254
6	F	-0.315
7	H	0.055
8	H	0.055

	x	y	z	Total
	-1.428	1.708	0.000	2.226
CHELPG
AIM
ESP

	x	y	z
x	2.972	-0.004	0.000
y	-0.004	3.104	0.000
z	0.000	0.000	3.041

<r²>	130.546
(<r²>)^1/2	11.426

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

using model chemistry: HF/cc-pVDZ

States and conformations

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