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	hartrees
Energy at 0K	-1395.819838
Energy at 298.15K	-1395.821973
HF Energy	-1395.819838
Nuclear repulsion energy	613.907139

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1310	1248	140.53
2	A'	1261	1201	275.29
3	A'	1141	1087	148.27
4	A'	955	909	124.05
5	A'	737	702	44.55
6	A'	589	561	3.78
7	A'	509	485	2.83
8	A'	402	383	0.08
9	A'	313	298	0.43
10	A'	269	257	0.32
11	A'	201	192	1.05
12	A"	1247	1187	214.45
13	A"	916	872	256.24
14	A"	556	529	7.44
15	A"	401	382	0.05
16	A"	330	315	1.04
17	A"	180	171	1.03
18	A"	68	65	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.395	-0.337	0.000
C2	-0.356	1.038	0.000
F3	1.714	-0.072	0.000
Cl4	-0.011	-1.252	1.458
Cl5	-0.011	-1.252	-1.458
F6	-1.675	0.864	0.000
F7	-0.011	1.735	1.080
F8	-0.011	1.735	-1.080

	C1	C2	F3	Cl4	Cl5	F6	F7	F8
C1		1.5670	1.3453	1.7688	1.7688	2.3931	2.3717	2.3717
C2	1.5670		2.3498	2.7368	2.7368	1.3296	1.3311	1.3311
F3	1.3453	2.3498		2.5486	2.5486	3.5160	2.7225	2.7225
Cl4	1.7688	2.7368	2.5486		2.9155	3.0612	3.0111	3.9200
Cl5	1.7688	2.7368	2.5486	2.9155		3.0612	3.9200	3.0111
F6	2.3931	1.3296	3.5160	3.0612	3.0612		2.1661	2.1661
F7	2.3717	1.3311	2.7225	3.0111	3.9200	2.1661		2.1606
F8	2.3717	1.3311	2.7225	3.9200	3.0111	2.1661	2.1606

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	111.149	C1	C2	F7	109.573
C1	C2	F8	109.573	C2	C1	F3	107.332
C2	C1	Cl4	110.114	C2	C1	Cl5	110.114
F3	C1	Cl4	109.095	F3	C1	Cl5	109.095
Cl4	C1	Cl5	111.005	F6	C2	F7	108.996
F6	C2	F8	108.996	F7	C2	F8	108.505

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

using model chemistry: wB97X-D/6-31+G**

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	-0.201
2	C	0.828
3	F	-0.156
4	Cl	0.170
5	Cl	0.170
6	F	-0.254
7	F	-0.279
8	F	-0.279

	x	y	z	Total
	-0.208	-0.639	0.000	0.672
CHELPG
AIM
ESP

	x	y	z
x	6.329	0.245	0.000
y	0.245	7.342	0.000
z	0.000	0.000	8.749

<r²>	302.972
(<r²>)^1/2	17.406

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

using model chemistry: wB97X-D/6-31+G**

States and conformations

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