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	hartrees
Energy at 0K	-688.766401
Energy at 298.15K
HF Energy	-687.637413
Nuclear repulsion energy	264.854560

Atom	x (Å)	y (Å)
C1	0.000	0.268
C2	1.311	-0.092
C3	1.306	-1.533
C4	-0.001	-1.910
O5	-0.824	-0.811
Cl6	-0.760	1.798
H7	2.156	0.574
H8	2.160	-2.188
H9	-0.501	-2.862

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3599	2.2243	2.1781	1.3581	1.7086	2.1775	3.2711	3.1700
C2	1.3599		1.4406	2.2420	2.2533	2.8043	1.0759	2.2615	3.3101
C3	2.2243	1.4406		1.3599	2.2486	3.9195	2.2723	1.0770	2.2429
C4	2.1781	2.2420	1.3599		1.3729	3.7853	3.2900	2.1789	1.0754
O5	1.3581	2.2533	2.2486	1.3729		2.6106	3.2865	3.2866	2.0760
Cl6	1.7086	2.8043	3.9195	3.7853	2.6106		3.1622	4.9417	4.6677
H7	2.1775	1.0759	2.2723	3.2900	3.2865	3.1622		2.7627	4.3438
H8	3.2711	2.2615	1.0770	2.1789	3.2866	4.9417	2.7627		2.7451
H9	3.1700	3.3101	2.2429	1.0754	2.0760	4.6677	4.3438	2.7451

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.135	C1	C2	H7	126.355
C1	O5	C4	105.794	C2	C1	O5	112.000
C2	C1	Cl6	131.766	C2	C3	C4	106.332
C2	C3	H8	127.264	C3	C2	H7	128.510
C3	C4	O5	110.739	C3	C4	H9	133.816
C4	C3	H8	126.404	O5	C1	Cl6	116.234
O5	C4	H9	115.445

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

using model chemistry: QCISD(T)/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 C4H3ClO (Furan, 2-chloro)

using model chemistry: QCISD(T)/cc-pVTZ

States and conformations

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