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	hartrees
Energy at 0K	-1396.067144
Energy at 298.15K	-1396.069316
HF Energy	-1396.067144
Nuclear repulsion energy	615.535623

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1298	1242	136.65
2	A'	1253	1199	257.57
3	A'	1141	1091	127.57
4	A'	951	910	109.09
5	A'	745	713	41.70
6	A'	595	569	3.18
7	A'	510	488	2.25
8	A'	402	385	0.05
9	A'	312	298	0.46
10	A'	265	254	0.25
11	A'	200	192	0.76
12	A"	1235	1181	201.46
13	A"	901	861	234.02
14	A"	562	538	6.90
15	A"	400	383	0.01
16	A"	333	319	0.99
17	A"	179	171	0.75
18	A"	72	69	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.401	-0.332	0.000
C2	-0.354	1.037	0.000
F3	1.716	-0.076	0.000
Cl4	-0.014	-1.248	1.452
Cl5	-0.014	-1.248	-1.452
F6	-1.666	0.858	0.000
F7	-0.014	1.732	1.076
F8	-0.014	1.732	-1.076

	C1	C2	F3	Cl4	Cl5	F6	F7	F8
C1		1.5642	1.3393	1.7660	1.7660	2.3854	2.3651	2.3651
C2	1.5642		2.3504	2.7288	2.7288	1.3236	1.3256	1.3256
F3	1.3393	2.3504		2.5445	2.5445	3.5082	2.7239	2.7239
Cl4	1.7660	2.7288	2.5445		2.9032	3.0449	3.0042	3.9081
Cl5	1.7660	2.7288	2.5445	2.9032		3.0449	3.9081	3.0042
F6	2.3854	1.3236	3.5082	3.0449	3.0449		2.1567	2.1567
F7	2.3651	1.3256	2.7239	3.0042	3.9081	2.1567		2.1522
F8	2.3651	1.3256	2.7239	3.9081	3.0042	2.1567	2.1522

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	111.108	C1	C2	F7	109.577
C1	C2	F8	109.577	C2	C1	F3	107.844
C2	C1	Cl4	109.905	C2	C1	Cl5	109.905
F3	C1	Cl4	109.284	F3	C1	Cl5	109.284
Cl4	C1	Cl5	110.567	F6	C2	F7	108.995
F6	C2	F8	108.995	F7	C2	F8	108.544

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

using model chemistry: wB97X-D/aug-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	0.553
2	C	1.224
3	F	-0.378
4	Cl	-0.183
5	Cl	-0.183
6	F	-0.341
7	F	-0.346
8	F	-0.346

	x	y	z	Total
	-0.144	-0.514	0.000	0.534
CHELPG
AIM
ESP

	x	y	z
x	7.372	0.142	0.000
y	0.142	8.390	0.000
z	0.000	0.000	9.596

<r²>	301.295
(<r²>)^1/2	17.358

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

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

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