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	hartrees
Energy at 0K	-688.516995
Energy at 298.15K	-688.520306
HF Energy	-687.615944
Nuclear repulsion energy	265.392653

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3341	3167	0.09
2	A'	3325	3152	0.56
3	A'	3305	3133	1.60
4	A'	1653	1567	12.94
5	A'	1563	1482	66.24
6	A'	1438	1363	16.99
7	A'	1291	1224	46.74
8	A'	1245	1180	38.17
9	A'	1174	1113	11.07
10	A'	1120	1062	20.36
11	A'	1045	990	21.90
12	A'	955	905	28.25
13	A'	911	864	1.10
14	A'	502	475	3.59
15	A'	317	300	0.43
16	A"	757	718	28.10
17	A"	706	669	52.36
18	A"	687	652	0.15
19	A"	594	563	14.08
20	A"	220	209	0.90
21	A"	197	187	1.65

Atom	x (Å)	y (Å)
C1	0.000	0.262
C2	1.305	-0.088
C3	1.306	-1.527
C4	0.008	-1.907
O5	-0.813	-0.816
Cl6	-0.767	1.797
H7	2.148	0.580
H8	2.164	-2.178
H9	-0.487	-2.861

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3517	2.2154	2.1695	1.3503	1.7156	2.1713	3.2612	3.1607
C2	1.3517		1.4387	2.2340	2.2401	2.8016	1.0752	2.2589	3.3015
C3	2.2154	1.4387		1.3524	2.2357	3.9175	2.2687	1.0764	2.2351
C4	2.1695	2.2340	1.3524		1.3662	3.7844	3.2807	2.1721	1.0746
O5	1.3503	2.2401	2.2357	1.3662		2.6130	3.2735	3.2737	2.0707
Cl6	1.7156	2.8016	3.9175	3.7844	2.6130		3.1588	4.9383	4.6659
H7	2.1713	1.0752	2.2687	3.2807	3.2735	3.1588		2.7577	4.3338
H8	3.2612	2.2589	1.0764	2.1721	3.2737	4.9383	2.7577		2.7376
H9	3.1607	3.3015	2.2351	1.0746	2.0707	4.6659	4.3338	2.7376

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.064	C1	C2	H7	126.552
C1	O5	C4	105.998	C2	C1	O5	112.000
C2	C1	Cl6	131.588	C2	C3	C4	106.295
C2	C3	H8	127.234	C3	C2	H7	128.384
C3	C4	O5	110.643	C3	C4	H9	133.808
C4	C3	H8	126.471	O5	C1	Cl6	116.412
O5	C4	H9	115.549

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

using model chemistry: CCD/TZVP

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: CCD/TZVP

States and conformations

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