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	hartrees
Energy at 0K	-474.855685
Energy at 298.15K	-474.860004
HF Energy	-474.855685
Nuclear repulsion energy	276.330929

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3229	2921	18.28
2	A'	1628	1473	12.10
3	A'	1594	1442	14.36
4	A'	1434	1297	184.70
5	A'	1335	1208	286.96
6	A'	1225	1108	134.43
7	A'	924	836	16.24
8	A'	729	660	42.41
9	A'	600	543	11.82
10	A'	448	405	0.74
11	A'	238	215	3.58
12	A"	3287	2974	13.94
13	A"	1448	1310	190.40
14	A"	1332	1205	73.61
15	A"	1082	979	57.77
16	A"	586	530	3.20
17	A"	381	345	1.36
18	A"	121	110	6.91

Atom	x (Å)	y (Å)	z (Å)
C1	0.362	0.188	0.000
C2	-1.150	0.236	0.000
F3	0.831	1.419	0.000
F4	0.831	-0.425	1.060
F5	0.831	-0.425	-1.060
F6	-1.639	-1.020	0.000
H7	-1.483	0.754	0.887
H8	-1.483	0.754	-0.887

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5131	1.3169	1.3115	1.3115	2.3378	2.1244	2.1244
C2	1.5131		2.3078	2.3425	2.3425	1.3481	1.0800	1.0800
F3	1.3169	2.3078		2.1268	2.1268	3.4716	2.5665	2.5665
F4	1.3115	2.3425	2.1268		2.1203	2.7533	2.6034	3.2465
F5	1.3115	2.3425	2.1268	2.1203		2.7533	3.2465	2.6034
F6	2.3378	1.3481	3.4716	2.7533	2.7533		1.9900	1.9900
H7	2.1244	1.0800	2.5665	2.6034	3.2465	1.9900		1.7743
H8	2.1244	1.0800	2.5665	3.2465	2.6034	1.9900	1.7743

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.447	C1	C2	H7	108.871
C1	C2	H8	108.871	C2	C1	F3	109.066
C2	C1	F4	111.859	C2	C1	F5	111.859
F3	C1	F4	108.022	F3	C1	F5	108.022
F4	C1	F5	107.869	F6	C2	H7	109.588
F6	C2	H8	109.588	H7	C2	H8	110.455

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

using model chemistry: HF/daug-cc-pVTZ

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	2.651
2	C	-0.646
3	F	-0.671
4	F	-0.759
5	F	-0.759
6	F	-0.952
7	H	0.569
8	H	0.569

	x	y	z	Total
	-1.413	1.650	0.000	2.172
CHELPG
AIM
ESP

	x	y	z
x	4.055	0.050	0.000
y	0.050	4.046	0.000
z	0.000	0.000	3.890

<r²>	130.454
(<r²>)^1/2	11.422

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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