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	hartrees
Energy at 0K	-688.394110
Energy at 298.15K	-688.397895
HF Energy	-687.524390
Nuclear repulsion energy	264.716939

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3366	3168	0.40
2	A'	3348	3152	0.29
3	A'	3329	3134	2.43
4	A'	1669	1571	16.84
5	A'	1581	1488	57.65
6	A'	1449	1364	9.64
7	A'	1289	1213	24.49
8	A'	1242	1169	45.51
9	A'	1173	1105	9.36
10	A'	1116	1050	16.61
11	A'	1054	992	19.44
12	A'	945	890	30.91
13	A'	901	848	1.88
14	A'	503	474	3.04
15	A'	319	300	0.41
16	A"	835	786	2.19
17	A"	797	750	21.42
18	A"	745	701	42.38
19	A"	620	584	10.81
20	A"	581	547	1.22
21	A"	226	212	1.76

Atom	x (Å)	y (Å)
C1	0.000	0.269
C2	1.309	-0.086
C3	1.312	-1.528
C4	0.010	-1.913
O5	-0.821	-0.818
Cl6	-0.768	1.797
H7	2.153	0.580
H8	2.171	-2.176
H9	-0.485	-2.867

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3567	2.2245	2.1822	1.3615	1.7107	2.1757	3.2697	3.1732
C2	1.3567		1.4413	2.2414	2.2518	2.8046	1.0756	2.2601	3.3093
C3	2.2245	1.4413		1.3570	2.2472	3.9220	2.2700	1.0766	2.2409
C4	2.1822	2.2414	1.3570		1.3751	3.7914	3.2879	2.1768	1.0748
O5	1.3615	2.2518	2.2472	1.3751		2.6153	3.2860	3.2857	2.0767
Cl6	1.7107	2.8046	3.9220	3.7914	2.6153		3.1649	4.9424	4.6729
H7	2.1757	1.0756	2.2700	3.2879	3.2860	3.1649		2.7562	4.3412
H8	3.2697	2.2601	1.0766	2.1768	3.2857	4.9424	2.7562		2.7450
H9	3.1732	3.3093	2.2409	1.0748	2.0767	4.6729	4.3412	2.7450

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.276	C1	C2	H7	126.494
C1	O5	C4	105.764	C2	C1	O5	111.873
C2	C1	Cl6	131.879	C2	C3	C4	106.411
C2	C3	H8	127.087	C3	C2	H7	128.229
C3	C4	O5	110.675	C3	C4	H9	133.958
C4	C3	H8	126.501	O5	C1	Cl6	116.248
O5	C4	H9	115.367

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

using model chemistry: QCISD/6-31G**

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/6-31G**

States and conformations

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