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	hartrees
Energy at 0K	-1395.858018
Energy at 298.15K	-1395.859754
HF Energy	-1395.858018
Nuclear repulsion energy	603.726461

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1212	1202	135.49
2	A'	1194	1184	235.12
3	A'	1085	1076	134.34
4	A'	887	880	120.11
5	A'	689	684	47.09
6	A'	557	552	2.58
7	A'	467	463	3.97
8	A'	372	369	0.13
9	A'	295	292	0.57
10	A'	250	248	0.52
11	A'	188	186	0.95
12	A"	1175	1165	169.00
13	A"	804	798	277.44
14	A"	519	515	12.44
15	A"	364	361	2.21
16	A"	308	306	1.58
17	A"	170	169	1.10
18	A"	59	59	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.397	-0.334	0.000
C2	-0.366	1.053	0.000
F3	1.729	-0.057	0.000
Cl4	-0.009	-1.268	1.485
Cl5	-0.009	-1.268	-1.485
F6	-1.700	0.867	0.000
F7	-0.009	1.751	1.097
F8	-0.009	1.751	-1.097

	C1	C2	F3	Cl4	Cl5	F6	F7	F8
C1		1.5833	1.3601	1.8010	1.8010	2.4169	2.3908	2.3908
C2	1.5833		2.3705	2.7790	2.7790	1.3468	1.3486	1.3486
F3	1.3601	2.3705		2.5871	2.5871	3.5510	2.7369	2.7369
Cl4	1.8010	2.7790	2.5871		2.9706	3.1028	3.0440	3.9731
Cl5	1.8010	2.7790	2.5871	2.9706		3.1028	3.9731	3.0440
F6	2.4169	1.3468	3.5510	3.1028	3.1028		2.2011	2.2011
F7	2.3908	1.3486	2.7369	3.0440	3.9731	2.2011		2.1948
F8	2.3908	1.3486	2.7369	3.9731	3.0440	2.2011	2.1948

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	110.891	C1	C2	F7	109.006
C1	C2	F8	109.006	C2	C1	F3	107.047
C2	C1	Cl4	110.233	C2	C1	Cl5	110.233
F3	C1	Cl4	109.054	F3	C1	Cl5	109.054
Cl4	C1	Cl5	111.117	F6	C2	F7	109.489
F6	C2	F8	109.489	F7	C2	F8	108.928

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	0.009
2	C	0.749
3	F	-0.192
4	Cl	0.036
5	Cl	0.036
6	F	-0.207
7	F	-0.215
8	F	-0.215

	x	y	z	Total
	-0.040	-0.005	0.000	0.040
CHELPG
AIM
ESP

	x	y	z
x	5.169	0.338	0.000
y	0.338	6.503	0.000
z	0.000	0.000	8.295

<r²>	311.226
(<r²>)^1/2	17.642

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

using model chemistry: BLYP/6-31G*

States and conformations

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