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	hartrees
Energy at 0K	-934.616105
Energy at 298.15K	-934.619302
HF Energy	-933.548336
Nuclear repulsion energy	420.545181

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3202	3019	7.46
2	A	1451	1368	41.11
3	A	1381	1302	9.80
4	A	1360	1283	157.90
5	A	1277	1204	260.39
6	A	1224	1154	209.45
7	A	1149	1083	102.09
8	A	921	868	89.46
9	A	851	803	36.80
10	A	701	661	36.93
11	A	577	544	4.27
12	A	528	498	8.77
13	A	455	429	2.64
14	A	384	362	0.56
15	A	326	307	0.70
16	A	239	226	2.82
17	A	191	181	1.82
18	A	79	75	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.441	0.479	-0.477
C2	-0.853	-0.180	0.001
H3	0.434	0.538	-1.567
F4	0.492	1.729	0.065
Cl5	1.840	-0.471	0.021
F6	-0.883	-0.279	1.333
F7	-1.884	0.582	-0.405
F8	-0.974	-1.403	-0.541

	C1	C2	H3	F4	Cl5	F6	F7	F8
C1		1.5288	1.0921	1.3629	1.7625	2.3665	2.3277	2.3551
C2	1.5288		2.1524	2.3362	2.7086	1.3361	1.3443	1.3423
H3	1.0921	2.1524		2.0214	2.3480	3.2882	2.5934	2.6085
F4	1.3629	2.3362	2.0214		2.5797	2.7433	2.6793	3.5101
Cl5	1.7625	2.7086	2.3480	2.5797		3.0283	3.8925	3.0165
F6	2.3665	1.3361	3.2882	2.7433	3.0283		2.1822	2.1867
F7	2.3277	1.3443	2.5934	2.6793	3.8925	2.1822		2.1876
F8	2.3551	1.3423	2.6085	3.5101	3.0165	2.1867	2.1876

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	111.210	C1	C2	F7	108.048
C1	C2	F8	110.056	C2	C1	H3	109.280
C2	C1	F4	107.643	C2	C1	Cl5	110.565
H3	C1	F4	110.357	H3	C1	Cl5	108.384
F4	C1	Cl5	110.607	F6	C2	F7	109.004
F6	C2	F8	109.452	F7	C2	F8	109.027

All results from a given calculation for CF₃CHFCl (1,1,1,2-tetrafluorochloroethane)

using model chemistry: MP2/6-31G*

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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All results from a given calculation for CF3CHFCl (1,1,1,2-tetrafluorochloroethane)

using model chemistry: MP2/6-31G*

States and conformations

All results from a given calculation for CF₃CHFCl (1,1,1,2-tetrafluorochloroethane)