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	hartrees
Energy at 0K	-1392.709781
Energy at 298.15K	-1392.712356
HF Energy	-1392.709781
Nuclear repulsion energy	622.193028

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1447	1312	172.01
2	A'	1410	1278	274.09
3	A'	1270	1151	166.20
4	A'	1042	944	133.75
5	A'	812	736	53.60
6	A'	650	589	5.11
7	A'	551	500	2.78
8	A'	440	399	0.20
9	A'	338	306	0.49
10	A'	288	261	0.42
11	A'	216	196	1.08
12	A"	1393	1263	222.57
13	A"	1008	914	256.95
14	A"	616	558	8.57
15	A"	436	395	0.22
16	A"	364	330	1.27
17	A"	195	177	0.95
18	A"	83	76	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.389	-0.333	0.000
C2	-0.347	1.027	0.000
F3	1.687	-0.076	0.000
Cl4	-0.013	-1.241	1.442
Cl5	-0.013	-1.241	-1.442
F6	-1.640	0.869	0.000
F7	-0.013	1.717	1.056
F8	-0.013	1.717	-1.056

	C1	C2	F3	Cl4	Cl5	F6	F7	F8
C1		1.5471	1.3229	1.7513	1.7513	2.3589	2.3406	2.3406
C2	1.5471		2.3145	2.7089	2.7089	1.3028	1.3047	1.3047
F3	1.3229	2.3145		2.5155	2.5155	3.4591	2.6869	2.6869
Cl4	1.7513	2.7089	2.5155		2.8849	3.0298	2.9829	3.8717
Cl5	1.7513	2.7089	2.5155	2.8849		3.0298	3.8717	2.9829
F6	2.3589	1.3028	3.4591	3.0298	3.0298		2.1174	2.1174
F7	2.3406	1.3047	2.6869	2.9829	3.8717	2.1174		2.1119
F8	2.3406	1.3047	2.6869	3.8717	2.9829	2.1174	2.1119

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	111.440	C1	C2	F7	110.030
C1	C2	F8	110.030	C2	C1	F3	107.243
C2	C1	Cl4	110.273	C2	C1	Cl5	110.273
F3	C1	Cl4	109.029	F3	C1	Cl5	109.029
Cl4	C1	Cl5	110.903	F6	C2	F7	108.594
F6	C2	F8	108.594	F7	C2	F8	108.070

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

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	0.332
2	C	0.638
3	F	-0.202
4	Cl	-0.054
5	Cl	-0.054
6	F	-0.221
7	F	-0.220
8	F	-0.220

	x	y	z	Total
	-0.197	-0.625	0.000	0.655
CHELPG
AIM
ESP

	x	y	z
x	5.784	0.207	0.000
y	0.207	6.691	0.000
z	0.000	0.000	8.080

<r²>	296.470
(<r²>)^1/2	17.218

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

using model chemistry: HF/Def2TZVPP

States and conformations

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