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	hartrees
Energy at 0K	-1396.058297
Energy at 298.15K	-1396.060484
HF Energy	-1396.058297
Nuclear repulsion energy	615.832232

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1306	1248	146.83
2	A'	1264	1208	272.79
3	A'	1150	1099	134.93
4	A'	955	913	113.15
5	A'	748	715	43.73
6	A'	597	570	3.27
7	A'	511	489	2.50
8	A'	403	385	0.04
9	A'	313	299	0.47
10	A'	266	254	0.41
11	A'	201	192	0.88
12	A"	1245	1190	208.44
13	A"	903	863	243.31
14	A"	564	539	7.54
15	A"	401	383	0.02
16	A"	334	319	1.11
17	A"	180	172	0.91
18	A"	72	69	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.401	-0.331	0.000
C2	-0.355	1.036	0.000
F3	1.715	-0.073	0.000
Cl4	-0.014	-1.247	1.452
Cl5	-0.014	-1.247	-1.452
F6	-1.666	0.855	0.000
F7	-0.014	1.730	1.076
F8	-0.014	1.730	-1.076

	C1	C2	F3	Cl4	Cl5	F6	F7	F8
C1		1.5625	1.3386	1.7659	1.7659	2.3832	2.3621	2.3621
C2	1.5625		2.3479	2.7271	2.7271	1.3232	1.3251	1.3251
F3	1.3386	2.3479		2.5446	2.5446	3.5053	2.7195	2.7195
Cl4	1.7659	2.7271	2.5446		2.9030	3.0421	3.0010	3.9056
Cl5	1.7659	2.7271	2.5446	2.9030		3.0421	3.9056	3.0010
F6	2.3832	1.3232	3.5053	3.0421	3.0421		2.1569	2.1569
F7	2.3621	1.3251	2.7195	3.0010	3.9056	2.1569		2.1522
F8	2.3621	1.3251	2.7195	3.9056	3.0010	2.1569	2.1522

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	111.077	C1	C2	F7	109.498
C1	C2	F8	109.498	C2	C1	F3	107.805
C2	C1	Cl4	109.884	C2	C1	Cl5	109.884
F3	C1	Cl4	109.327	F3	C1	Cl5	109.327
Cl4	C1	Cl5	110.562	F6	C2	F7	109.064
F6	C2	F8	109.064	F7	C2	F8	108.597

All results from a given calculation for CF₃CFCl₂ (1,1-Dichlorotetrafluoroethane)

using model chemistry: wB97X-D/cc-pVTZ

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	0.153
2	C	0.483
3	F	-0.128
4	Cl	-0.046
5	Cl	-0.046
6	F	-0.137
7	F	-0.139
8	F	-0.139

	x	y	z	Total
	-0.112	-0.435	0.000	0.450
CHELPG
AIM
ESP

	x	y	z
x	5.907	0.246	0.000
y	0.246	6.998	0.000
z	0.000	0.000	8.486

<r²>	300.825
(<r²>)^1/2	17.344

All results from a given calculation for CF3CFCl2 (1,1-Dichlorotetrafluoroethane)

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

All results from a given calculation for CF₃CFCl₂ (1,1-Dichlorotetrafluoroethane)