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	hartrees
Energy at 0K	-934.702247
Energy at 298.15K	-934.705509
HF Energy	-933.569759
Nuclear repulsion energy	421.109559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3239	3018	4.17
2	A	1455	1356	41.02
3	A	1376	1282	7.03
4	A	1359	1266	164.62
5	A	1278	1190	277.43
6	A	1228	1144	220.73
7	A	1155	1076	118.82
8	A	927	863	85.17
9	A	852	794	30.39
10	A	707	658	39.02
11	A	580	540	4.74
12	A	533	496	9.56
13	A	461	429	3.03
14	A	388	362	0.99
15	A	330	307	0.88
16	A	243	227	2.74
17	A	192	179	1.76
18	A	85	79	0.33

Atom	x (Å)	y (Å)	z (Å)
C1	0.448	0.481	-0.473
C2	-0.855	-0.172	-0.001
H3	0.437	0.549	-1.557
F4	0.515	1.727	0.069
Cl5	1.836	-0.481	0.021
F6	-0.892	-0.284	1.326
F7	-1.884	0.587	-0.400
F8	-0.984	-1.388	-0.546

	C1	C2	H3	F4	Cl5	F6	F7	F8
C1		1.5315	1.0859	1.3602	1.7599	2.3697	2.3355	2.3548
C2	1.5315		2.1468	2.3423	2.7083	1.3322	1.3402	1.3382
H3	1.0859	2.1468		2.0090	2.3470	3.2817	2.5937	2.6057
F4	1.3602	2.3423	2.0090		2.5734	2.7571	2.6970	3.5103
Cl5	1.7599	2.7083	2.3470	2.5734		3.0302	3.8934	3.0154
F6	2.3697	1.3322	3.2817	2.7571	3.0302		2.1732	2.1750
F7	2.3355	1.3402	2.5937	2.6970	3.8934	2.1732		2.1754
F8	2.3548	1.3382	2.6057	3.5103	3.0154	2.1750	2.1754

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	111.501	C1	C2	F7	108.653
C1	C2	F8	110.110	C2	C1	H3	109.020
C2	C1	F4	108.049	C2	C1	Cl5	110.552
H3	C1	F4	109.926	H3	C1	Cl5	108.796
F4	C1	Cl5	110.480	F6	C2	F7	108.821
F6	C2	F8	109.073	F7	C2	F8	108.628

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

using model chemistry: MP3=FULL/6-31+G**

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: MP3=FULL/6-31+G**

States and conformations

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