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	hartrees
Energy at 0K	-538.870809
Energy at 298.15K
HF Energy	-538.200423
Nuclear repulsion energy	103.269785

Atom	x (Å)	y (Å)	z (Å)
C1	1.498	0.649	0.000
C2	0.000	0.812	0.000
H3	1.967	1.633	0.000
H4	1.826	0.107	0.883
H5	1.826	0.107	-0.883
Cl6	-0.818	-0.781	0.000
H7	-0.347	1.333	0.884
H8	-0.347	1.333	-0.884

	C1	C2	H3	H4	H5	Cl6	H7	H8
C1		1.5069	1.0897	1.0870	1.0870	2.7226	2.1573	2.1573
C2	1.5069		2.1317	2.1471	2.1471	1.7907	1.0833	1.0833
H3	1.0897	2.1317		1.7690	1.7690	3.6860	2.4956	2.4956
H4	1.0870	2.1471	1.7690		1.7657	2.9256	2.4954	3.0574
H5	1.0870	2.1471	1.7690	1.7657		2.9256	3.0574	2.4954
Cl6	2.7226	1.7907	3.6860	2.9256	2.9256		2.3393	2.3393
H7	2.1573	1.0833	2.4956	2.4954	3.0574	2.3393		1.7674
H8	2.1573	1.0833	2.4956	3.0574	2.4954	2.3393	1.7674

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.014	C1	C2	H7	111.755
C1	C2	H8	111.755	C2	C1	H3	109.315
C2	C1	H4	110.703	C2	C1	H5	110.703
H3	C1	H4	108.722	H3	C1	H5	108.722
H4	C1	H5	108.627	Cl6	C2	H7	106.353
Cl6	C2	H8	106.353	H7	C2	H8	109.329

All results from a given calculation for CH₃CH₂Cl (Ethyl chloride)

using model chemistry: CCSD=FULL/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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All results from a given calculation for CH3CH2Cl (Ethyl chloride)

using model chemistry: CCSD=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for CH₃CH₂Cl (Ethyl chloride)