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	hartrees
Energy at 0K	-476.599635
Energy at 298.15K	-476.603621
Nuclear repulsion energy	271.867440

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3092	2958	16.39
2	A'	1527	1461	3.57
3	A'	1473	1409	15.00
4	A'	1326	1269	166.07
5	A'	1225	1172	259.35
6	A'	1145	1095	77.30
7	A'	855	818	14.68
8	A'	663	634	29.18
9	A'	544	521	8.41
10	A'	407	390	0.65
11	A'	211	202	2.81
12	A"	3152	3016	19.56
13	A"	1343	1285	140.45
14	A"	1229	1176	68.88
15	A"	999	956	55.52
16	A"	526	503	2.04
17	A"	349	334	1.23
18	A"	106	101	4.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.362	0.191	0.000
C2	-1.154	0.239	0.000
F3	0.838	1.451	0.000
F4	0.838	-0.436	1.084
F5	0.838	-0.436	-1.084
F6	-1.655	-1.037	0.000
H7	-1.490	0.772	0.896
H8	-1.490	0.772	-0.896

	C1	C2	F3	F4	F5	F6	H7	H8
C1		1.5168	1.3472	1.3399	1.3399	2.3611	2.1372	2.1372
C2	1.5168		2.3318	2.3665	2.3665	1.3711	1.0946	1.0946
F3	1.3472	2.3318		2.1768	2.1768	3.5221	2.5848	2.5848
F4	1.3399	2.3665	2.1768		2.1681	2.7837	2.6294	3.2858
F5	1.3399	2.3665	2.1768	2.1681		2.7837	3.2858	2.6294
F6	2.3611	1.3711	3.5221	2.7837	2.7837		2.0254	2.0254
H7	2.1372	1.0946	2.5848	2.6294	3.2858	2.0254		1.7910
H8	2.1372	1.0946	2.5848	3.2858	2.6294	2.0254	1.7910

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	109.582	C1	C2	H7	108.775
C1	C2	H8	108.775	C2	C1	F3	108.869
C2	C1	F4	111.717	C2	C1	F5	111.717
F3	C1	F4	108.210	F3	C1	F5	108.210
F4	C1	F5	108.001	F6	C2	H7	109.947
F6	C2	H8	109.947	H7	C2	H8	109.788

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

using model chemistry: B3PW91/6-31G*

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	0.777
2	C	-0.085
3	F	-0.267
4	F	-0.256
5	F	-0.256
6	F	-0.287
7	H	0.187
8	H	0.187

	x	y	z	Total
	-1.136	1.409	0.000	1.811
CHELPG
AIM
ESP

	x	y	z
x	3.457	0.004	0.000
y	0.004	3.531	0.000
z	0.000	0.000	3.466

<r²>	133.024
(<r²>)^1/2	11.534

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

using model chemistry: B3PW91/6-31G*

States and conformations

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