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	hartrees
Energy at 0K	-835.638105
Energy at 298.15K
HF Energy	-834.712417
Nuclear repulsion energy	323.129642

Atom	x (Å)	y (Å)	z (Å)
C1	-0.858	0.487	0.000
C2	0.656	0.430	0.000
Cl3	-1.577	-1.132	0.000
H4	-1.181	1.019	0.889
H5	-1.181	1.019	-0.889
F6	1.126	1.691	0.000
F7	1.126	-0.195	1.085
F8	1.126	-0.195	-1.085

	C1	C2	Cl3	H4	H5	F6	F7	F8
C1		1.5151	1.7720	1.0846	1.0846	2.3206	2.3619	2.3619
C2	1.5151		2.7253	2.1232	2.1232	1.3455	1.3376	1.3376
Cl3	1.7720	2.7253		2.3614	2.3614	3.9085	3.0594	3.0594
H4	1.0846	2.1232	2.3614		1.7772	2.5611	2.6136	3.2691
H5	1.0846	2.1232	2.3614	1.7772		2.5611	3.2691	2.6136
F6	2.3206	1.3455	3.9085	2.5611	2.5611		2.1759	2.1759
F7	2.3619	1.3376	3.0594	2.6136	3.2691	2.1759		2.1699
F8	2.3619	1.3376	3.0594	3.2691	2.6136	2.1759	2.1699

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	108.289	C1	C2	F7	111.633
C1	C2	F8	111.633	C2	C1	Cl3	111.773
C2	C1	H4	108.376	C2	C1	H5	108.376
Cl3	C1	H4	109.135	Cl3	C1	H5	109.135
H4	C1	H5	110.031	F6	C2	F7	108.385
F6	C2	F8	108.385	F7	C2	F8	108.415

All results from a given calculation for CF₃CH₂Cl (2,2,2-Trifluoroethyl chloride)

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 CF3CH2Cl (2,2,2-Trifluoroethyl chloride)

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

States and conformations

All results from a given calculation for CF₃CH₂Cl (2,2,2-Trifluoroethyl chloride)