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	hartrees
Energy at 0K	-1393.652337
Energy at 298.15K
HF Energy	-1392.435208
Nuclear repulsion energy	616.539197

Atom	x (Å)	y (Å)	z (Å)
C1	0.392	-0.332	0.000
C2	-0.359	1.020	0.000
F3	1.708	-0.035	0.000
Cl4	-0.009	-1.237	1.458
Cl5	-0.009	-1.237	-1.458
F6	-1.676	0.829	0.000
F7	-0.009	1.711	1.084
F8	-0.009	1.711	-1.084

	C1	C2	F3	Cl4	Cl5	F6	F7	F8
C1		1.5459	1.3491	1.7623	1.7623	2.3713	2.3471	2.3471
C2	1.5459		2.3203	2.7094	2.7094	1.3308	1.3323	1.3323
F3	1.3491	2.3203		2.5533	2.5533	3.4924	2.6785	2.6785
Cl4	1.7623	2.7094	2.5533		2.9151	3.0286	2.9718	3.8926
Cl5	1.7623	2.7094	2.5533	2.9151		3.0286	3.8926	2.9718
F6	2.3713	1.3308	3.4924	3.0286	3.0286		2.1745	2.1745
F7	2.3471	1.3323	2.6785	2.9718	3.8926	2.1745		2.1683
F8	2.3471	1.3323	2.6785	3.8926	2.9718	2.1745	2.1683

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	110.820	C1	C2	F7	109.046
C1	C2	F8	109.046	C2	C1	F3	106.348
C2	C1	Cl4	109.800	C2	C1	Cl5	109.800
F3	C1	Cl4	109.578	F3	C1	Cl5	109.578
Cl4	C1	Cl5	111.598	F6	C2	F7	109.483
F6	C2	F8	109.483	F7	C2	F8	108.933

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

using model chemistry: MP3/6-31+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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All results from a given calculation for CF3CFCl2 (1,1-Dichlorotetrafluoroethane)

using model chemistry: MP3/6-31+G**

States and conformations

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