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	hartrees
Energy at 0K	-934.653625
Energy at 298.15K	-934.656882
HF Energy	-933.549938
Nuclear repulsion energy	421.787363

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3206	3008	7.09
2	A	1472	1381	50.75
3	A	1391	1305	79.48
4	A	1388	1302	99.54
5	A	1320	1239	259.36
6	A	1251	1174	196.58
7	A	1180	1108	105.47
8	A	934	876	78.60
9	A	859	806	36.70
10	A	713	669	40.34
11	A	587	551	4.97
12	A	538	504	9.87
13	A	462	433	2.90
14	A	390	366	0.75
15	A	330	310	0.85
16	A	242	227	2.97
17	A	193	181	1.88
18	A	80	76	0.34

Atom	x (Å)	y (Å)	z (Å)
C1	0.440	0.478	-0.477
C2	-0.853	-0.179	-0.000
H3	0.431	0.541	-1.566
F4	0.489	1.721	0.067
Cl5	1.841	-0.469	0.021
F6	-0.884	-0.280	1.325
F7	-1.879	0.579	-0.401
F8	-0.977	-1.395	-0.539

	C1	C2	H3	F4	Cl5	F6	F7	F8
C1		1.5261	1.0911	1.3576	1.7625	2.3612	2.3230	2.3489
C2	1.5261		2.1487	2.3265	2.7097	1.3299	1.3378	1.3358
H3	1.0911	2.1487		2.0155	2.3506	3.2808	2.5877	2.6044
F4	1.3576	2.3265	2.0155		2.5736	2.7333	2.6706	3.4960
Cl5	1.7625	2.7097	2.3506	2.5736		3.0277	3.8885	3.0189
F6	2.3612	1.3299	3.2808	2.7333	3.0277		2.1702	2.1744
F7	2.3230	1.3378	2.5877	2.6706	3.8885	2.1702		2.1749
F8	2.3489	1.3358	2.6044	3.4960	3.0189	2.1744	2.1749

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	111.345	C1	C2	F7	108.233
C1	C2	F8	110.142	C2	C1	H3	109.239
C2	C1	F4	107.414	C2	C1	Cl5	110.761
H3	C1	F4	110.315	H3	C1	Cl5	108.631
F4	C1	Cl5	110.474	F6	C2	F7	108.882
F6	C2	F8	109.314	F7	C2	F8	108.876

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

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

States and conformations

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