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	hartrees
Energy at 0K	-688.687432
Energy at 298.15K
HF Energy	-687.638263
Nuclear repulsion energy	263.076465

Atom	x (Å)	y (Å)
C1	-1.022	-0.621
C2	0.000	0.286
C3	1.219	-0.463
C4	0.828	-1.766
O5	-0.530	-1.876
Cl6	-0.201	1.980
H7	-2.088	-0.483
H8	2.226	-0.083
H9	1.370	-2.693

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3666	2.2467	2.1752	1.3472	2.7274	1.0754	3.2919	3.1643
C2	1.3666		1.4310	2.2126	2.2260	1.7054	2.2253	2.2561	3.2790
C3	2.2467	1.4310		1.3604	2.2490	2.8254	3.3076	1.0757	2.2352
C4	2.1752	2.2126	1.3604		1.3629	3.8841	3.1860	2.1876	1.0741
O5	1.3472	2.2260	2.2490	1.3629		3.8694	2.0898	3.2880	2.0688
Cl6	2.7274	1.7054	2.8254	3.8841	3.8694		3.1025	3.1848	4.9297
H7	1.0754	2.2253	3.3076	3.1860	2.0898	3.1025		4.3325	4.1043
H8	3.2919	2.2561	1.0757	2.1876	3.2880	3.1848	4.3325		2.7468
H9	3.1643	3.2790	2.2352	1.0741	2.0688	4.9297	4.1043	2.7468

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	106.833	C1	C2	Cl6	124.838
C1	O5	C4	106.758	C2	C1	O5	110.217
C2	C1	H7	130.992	C2	C3	C4	104.841
C2	C3	H8	127.755	C3	C2	Cl6	128.329
C3	C4	O5	111.351	C3	C4	H9	132.972
C4	C3	H8	127.404	O5	C1	H7	118.791
O5	C4	H9	115.678

All results from a given calculation for C₄H₃ClO (Furan,3-chloro)

using model chemistry: MP2/Def2TZVPP

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 C4H3ClO (Furan,3-chloro)

using model chemistry: MP2/Def2TZVPP

States and conformations

All results from a given calculation for C₄H₃ClO (Furan,3-chloro)