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	hartrees
Energy at 0K	-1396.009840
Energy at 298.15K	-1396.011767
HF Energy	-1396.009840
Nuclear repulsion energy	609.510725

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1215	1198	142.32
2	A'	1173	1156	272.10
3	A'	1067	1052	128.07
4	A'	889	877	116.86
5	A'	709	699	41.23
6	A'	568	560	2.26
7	A'	481	475	2.50
8	A'	380	374	0.15
9	A'	300	296	0.63
10	A'	257	253	0.27
11	A'	194	191	0.73
12	A"	1152	1136	201.74
13	A"	811	800	262.51
14	A"	535	527	10.21
15	A"	375	369	1.91
16	A"	320	315	1.49
17	A"	175	173	0.77
18	A"	73	72	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.403	-0.335	0.000
C2	-0.357	1.040	0.000
F3	1.728	-0.073	0.000
Cl4	-0.013	-1.256	1.470
Cl5	-0.013	-1.256	-1.470
F6	-1.683	0.856	0.000
F7	-0.013	1.747	1.090
F8	-0.013	1.747	-1.090

	C1	C2	F3	Cl4	Cl5	F6	F7	F8
C1		1.5705	1.3509	1.7846	1.7846	2.4025	2.3859	2.3859
C2	1.5705		2.3631	2.7481	2.7481	1.3396	1.3434	1.3434
F3	1.3509	2.3631		2.5684	2.5684	3.5359	2.7440	2.7440
Cl4	1.7846	2.7481	2.5684		2.9408	3.0681	3.0270	3.9460
Cl5	1.7846	2.7481	2.5684	2.9408		3.0681	3.9460	3.0270
F6	2.4025	1.3396	3.5359	3.0681	3.0681		2.1841	2.1841
F7	2.3859	1.3434	2.7440	3.0270	3.9460	2.1841		2.1791
F8	2.3859	1.3434	2.7440	3.9460	3.0270	2.1841	2.1791

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	110.956	C1	C2	F7	109.409
C1	C2	F8	109.409	C2	C1	F3	107.878
C2	C1	Cl4	109.859	C2	C1	Cl5	109.859
F3	C1	Cl4	109.277	F3	C1	Cl5	109.277
Cl4	C1	Cl5	110.639	F6	C2	F7	109.168
F6	C2	F8	109.168	F7	C2	F8	108.695

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

using model chemistry: B97D3/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	0.170
2	C	0.468
3	F	-0.120
4	Cl	-0.062
5	Cl	-0.062
6	F	-0.130
7	F	-0.132
8	F	-0.132

	x	y	z
x	6.147	0.259	0.000
y	0.259	7.377	0.000
z	0.000	0.000	8.969

<r²>	306.106
(<r²>)^1/2	17.496

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

using model chemistry: B97D3/cc-pVTZ

States and conformations

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