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	hartrees
Energy at 0K	-474.854505
Energy at 298.15K	-474.858846
Nuclear repulsion energy	276.340370

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3230	2940	18.20
2	A'	1629	1483	12.13
3	A'	1595	1452	14.15
4	A'	1434	1305	184.79
5	A'	1335	1215	286.17
6	A'	1225	1115	134.80
7	A'	924	841	16.40
8	A'	729	664	42.57
9	A'	599	546	11.85
10	A'	448	408	0.75
11	A'	239	217	3.56
12	A"	3288	2993	13.87
13	A"	1448	1318	189.84
14	A"	1332	1212	73.79
15	A"	1082	985	57.75
16	A"	585	533	3.18
17	A"	382	347	1.40
18	A"	122	111	6.93

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	0.755	0.887
H8	-1.483	0.755	-0.887

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5130	1.3169	1.3115	1.3115	2.3377	2.1243	2.1243
C2	1.5130		2.3073	2.3425	2.3425	1.3481	1.0800	1.0800
F3	1.3169	2.3073		2.1267	2.1267	3.4713	2.5660	2.5660
F4	1.3115	2.3425	2.1267		2.1202	2.7534	2.6034	3.2465
F5	1.3115	2.3425	2.1267	2.1202		2.7534	3.2465	2.6034
F6	2.3377	1.3481	3.4713	2.7534	2.7534		1.9899	1.9899
H7	2.1243	1.0800	2.5660	2.6034	3.2465	1.9899		1.7743
H8	2.1243	1.0800	2.5660	3.2465	2.6034	1.9899	1.7743

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.450	C1	C2	H7	108.872
C1	C2	H8	108.872	C2	C1	F3	109.048
C2	C1	F4	111.867	C2	C1	F5	111.867
F3	C1	F4	108.024	F3	C1	F5	108.024
F4	C1	F5	107.867	F6	C2	H7	109.586
F6	C2	H8	109.586	H7	C2	H8	110.453

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

using model chemistry: HF/aug-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	1.257
2	C	-0.320
3	F	-0.387
4	F	-0.376
5	F	-0.376
6	F	-0.458
7	H	0.330
8	H	0.330

	x	y	z	Total
	-1.416	1.654	0.000	2.177
CHELPG
AIM
ESP

	x	y	z
x	4.044	0.050	0.000
y	0.050	4.034	0.000
z	0.000	0.000	3.876

<r²>	130.456
(<r²>)^1/2	11.422

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

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