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	hartrees
Energy at 0K	-1096.627529
Energy at 298.15K
HF Energy	-1095.877561
Nuclear repulsion energy	299.015175

Atom	x (Å)	y (Å)	z (Å)
C1	0.020	0.329	0.000
C2	-1.164	1.266	0.000
F3	1.165	1.056	0.000
Cl4	0.020	-0.693	1.458
Cl5	0.020	-0.693	-1.458
H6	-2.095	0.707	0.000
H7	-1.110	1.889	0.888
H8	-1.110	1.889	-0.888

	C1	C2	F3	Cl4	Cl5	H6	H7	H8
C1		1.5103	1.3556	1.7806	1.7806	2.1485	2.1213	2.1213
C2	1.5103		2.3386	2.7139	2.7139	1.0848	1.0866	1.0866
F3	1.3556	2.3386		2.5483	2.5483	3.2779	2.5800	2.5800
Cl4	1.7806	2.7139	2.5483		2.9163	2.9257	2.8756	3.6673
Cl5	1.7806	2.7139	2.5483	2.9163		2.9257	3.6673	2.8756
H6	2.1485	1.0848	3.2779	2.9257	2.9257		1.7764	1.7764
H7	2.1213	1.0866	2.5800	2.8756	3.6673	1.7764		1.7763
H8	2.1213	1.0866	2.5800	3.6673	2.8756	1.7764	1.7763

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H6	110.703	C1	C2	H7	108.443
C1	C2	H8	108.443	C2	C1	F3	109.261
C2	C1	Cl4	110.847	C2	C1	Cl5	110.847
F3	C1	Cl4	107.920	F3	C1	Cl5	107.920
Cl4	C1	Cl5	109.950	H6	C2	H7	109.789
H6	C2	H8	109.789	H7	C2	H8	109.644

All results from a given calculation for CH₃CFCl₂ (1,1-Dichloro-1-fluoroethane)

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 CH3CFCl2 (1,1-Dichloro-1-fluoroethane)

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

States and conformations

All results from a given calculation for CH₃CFCl₂ (1,1-Dichloro-1-fluoroethane)