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	hartrees
Energy at 0K	-933.795426
Energy at 298.15K	-933.798938
HF Energy	-933.795426
Nuclear repulsion energy	425.895171

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3298	2989	8.10
2	A	1551	1405	47.36
3	A	1452	1316	124.17
4	A	1440	1305	102.87
5	A	1377	1248	301.08
6	A	1309	1187	245.69
7	A	1250	1133	149.42
8	A	972	881	85.72
9	A	891	808	54.29
10	A	768	696	48.37
11	A	631	572	6.25
12	A	582	527	10.80
13	A	492	446	2.36
14	A	414	376	0.34
15	A	349	317	1.31
16	A	259	235	2.92
17	A	201	183	1.71
18	A	82	74	0.32

Atom	x (Å)	y (Å)	z (Å)
C1	0.455	0.475	-0.458
C2	-0.857	-0.162	-0.003
H3	0.457	0.556	-1.531
F4	0.539	1.692	0.079
Cl5	1.839	-0.489	0.025
F6	-0.929	-0.285	1.293
F7	-1.857	0.590	-0.397
F8	-1.009	-1.343	-0.545

	C1	C2	H3	F4	Cl5	F6	F7	F8
C1		1.5278	1.0761	1.3327	1.7544	2.3572	2.3159	2.3358
C2	1.5278		2.1392	2.3220	2.7162	1.3038	1.3114	1.3088
H3	1.0761	2.1392		1.9719	2.3283	3.2558	2.5776	2.5936
F4	1.3327	2.3220	1.9719		2.5401	2.7454	2.6797	3.4637
Cl5	1.7544	2.7162	2.3283	2.5401		3.0509	3.8736	3.0270
F6	2.3572	1.3038	3.2558	2.7454	3.0509		2.1175	2.1221
F7	2.3159	1.3114	2.5776	2.6797	3.8736	2.1175		2.1167
F8	2.3358	1.3088	2.5936	3.4637	3.0270	2.1221	2.1167

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	112.468	C1	C2	F7	109.075
C1	C2	F8	110.628	C2	C1	H3	109.253
C2	C1	F4	108.344	C2	C1	Cl5	111.516
H3	C1	F4	109.430	H3	C1	Cl5	108.296
F4	C1	Cl5	109.980	F6	C2	F7	108.124
F6	C2	F8	108.635	F7	C2	F8	107.770

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

using model chemistry: HF/Def2TZVPP

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	0.282
2	C	0.665
3	H	0.066
4	F	-0.234
5	Cl	-0.091
6	F	-0.224
7	F	-0.232
8	F	-0.232

	x	y	z	Total
	0.415	0.018	-1.492	1.549
CHELPG
AIM
ESP

	x	y	z
x	5.884	-0.647	0.280
y	-0.647	5.107	-0.124
z	0.280	-0.124	4.651

<r²>	216.015
(<r²>)^1/2	14.697

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

using model chemistry: HF/Def2TZVPP

States and conformations

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