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	hartrees
Energy at 0K	-934.990328
Energy at 298.15K	-934.993566
HF Energy	-933.760113
Nuclear repulsion energy	420.532768

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3190	3024	5.42
2	A	1426	1352	33.72
3	A	1361	1290	8.77
4	A	1325	1256	169.97
5	A	1235	1171	286.93
6	A	1195	1133	248.86
7	A	1133	1074	120.64
8	A	908	861	88.32
9	A	840	796	36.83
10	A	711	674	37.48
11	A	585	554	3.87
12	A	540	512	8.62
13	A	460	436	2.12
14	A	385	365	0.45
15	A	326	309	0.92
16	A	242	230	3.00
17	A	191	181	1.90
18	A	74	70	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.453	0.481	-0.467
C2	-0.855	-0.169	-0.001
H3	0.443	0.558	-1.552
F4	0.523	1.726	0.073
Cl5	1.846	-0.486	0.023
F6	-0.915	-0.288	1.322
F7	-1.883	0.590	-0.403
F8	-0.992	-1.379	-0.551

	C1	C2	H3	F4	Cl5	F6	F7	F8
C1		1.5330	1.0871	1.3591	1.7649	2.3800	2.3398	2.3571
C2	1.5330		2.1488	2.3441	2.7195	1.3305	1.3393	1.3367
H3	1.0871	2.1488		2.0025	2.3529	3.2894	2.5951	2.6107
F4	1.3591	2.3441	2.0025		2.5774	2.7722	2.7037	3.5113
Cl5	1.7649	2.7195	2.3529	2.5774		3.0570	3.9044	3.0302
F6	2.3800	1.3305	3.2894	2.7722	3.0570		2.1650	2.1694
F7	2.3398	1.3393	2.5951	2.7037	3.9044	2.1650		2.1664
F8	2.3571	1.3367	2.6107	3.5113	3.0302	2.1694	2.1664

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	112.247	C1	C2	F7	108.908
C1	C2	F8	110.259	C2	C1	H3	109.012
C2	C1	F4	108.146	C2	C1	Cl5	110.903
H3	C1	F4	109.397	H3	C1	Cl5	108.843
F4	C1	Cl5	110.513	F6	C2	F7	108.368
F6	C2	F8	108.849	F7	C2	F8	108.105

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

using model chemistry: MP2/TZVP

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/TZVP

States and conformations

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