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	hartrees
Energy at 0K	-688.527624
Energy at 298.15K	-688.531270
HF Energy	-687.566817
Nuclear repulsion energy	262.031015

Atom	x (Å)	y (Å)
C1	0.000	0.274
C2	1.330	-0.086
C3	1.331	-1.537
C4	0.010	-1.932
O5	-0.827	-0.822
Cl6	-0.782	1.810
H7	2.182	0.593
H8	2.200	-2.197
H9	-0.496	-2.895

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3780	2.2471	2.2053	1.3730	1.7236	2.2056	3.3078	3.2075
C2	1.3780		1.4507	2.2686	2.2793	2.8384	1.0897	2.2825	3.3504
C3	2.2471	1.4507		1.3781	2.2733	3.9578	2.2937	1.0911	2.2766
C4	2.2053	2.2686	1.3781		1.3901	3.8242	3.3301	2.2055	1.0887
O5	1.3730	2.2793	2.2733	1.3901		2.6321	3.3255	3.3245	2.0994
Cl6	1.7236	2.8384	3.9578	3.8242	2.6321		3.2045	4.9942	4.7135
H7	2.2056	1.0897	2.2937	3.3301	3.3255	3.2045		2.7894	4.3978
H8	3.3078	2.2825	1.0911	2.2055	3.3245	4.9942	2.7894		2.7852
H9	3.2075	3.3504	2.2766	1.0887	2.0994	4.7135	4.3978	2.7852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.172	C1	C2	H7	126.302
C1	O5	C4	105.901	C2	C1	O5	111.903
C2	C1	Cl6	132.131	C2	C3	C4	106.611
C2	C3	H8	127.221	C3	C2	H7	128.526
C3	C4	O5	110.413	C3	C4	H9	134.367
C4	C3	H8	126.168	O5	C1	Cl6	115.967
O5	C4	H9	115.219

All results from a given calculation for C₄H₃ClO (Furan, 2-chloro)

using model chemistry: MP4/aug-cc-pVDZ

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, 2-chloro)

using model chemistry: MP4/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₄H₃ClO (Furan, 2-chloro)