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	hartrees
Energy at 0K	-689.249822
Energy at 298.15K
HF Energy	-688.957739
Nuclear repulsion energy	264.712559

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3341	3341	0.21
2	A'	3319	3319	0.52
3	A'	3300	3300	1.84
4	A'	1612	1612	16.91
5	A'	1524	1524	68.26
6	A'	1420	1420	12.51
7	A'	1261	1261	11.59
8	A'	1215	1215	57.04
9	A'	1154	1154	8.54
10	A'	1096	1096	14.40
11	A'	1039	1039	25.17
12	A'	935	935	28.80
13	A'	896	896	2.37
14	A'	498	498	4.96
15	A'	317	317	0.72
16	A"	847	847	0.53
17	A"	791	791	29.49
18	A"	726	726	65.67
19	A"	613	613	9.13
20	A"	593	593	1.17
21	A"	219	219	2.32

Atom	x (Å)	y (Å)
C1	0.000	0.270
C2	1.312	-0.096
C3	1.306	-1.530
C4	0.000	-1.915
O5	-0.820	-0.813
Cl6	-0.763	1.800
H7	2.160	0.568
H8	2.164	-2.183
H9	-0.504	-2.865

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3624	2.2246	2.1853	1.3582	1.7096	2.1808	3.2717	3.1756
C2	1.3624		1.4347	2.2432	2.2493	2.8110	1.0769	2.2548	3.3120
C3	2.2246	1.4347		1.3618	2.2440	3.9211	2.2654	1.0780	2.2494
C4	2.1853	2.2432	1.3618		1.3738	3.7927	3.2912	2.1806	1.0756
O5	1.3582	2.2493	2.2440	1.3738		2.6133	3.2844	3.2836	2.0766
Cl6	1.7096	2.8110	3.9211	3.7927	2.6133		3.1726	4.9434	4.6723
H7	2.1808	1.0769	2.2654	3.2912	3.2844	3.1726		2.7513	4.3458
H8	3.2717	2.2548	1.0780	2.1806	3.2836	4.9434	2.7513		2.7540
H9	3.1756	3.3120	2.2494	1.0756	2.0766	4.6723	4.3458	2.7540

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.349	C1	C2	H7	126.372
C1	O5	C4	106.240	C2	C1	O5	111.541
C2	C1	Cl6	132.099	C2	C3	C4	106.642
C2	C3	H8	127.050	C3	C2	H7	128.279
C3	C4	O5	110.229	C3	C4	H9	134.363
C4	C3	H8	126.308	O5	C1	Cl6	116.360
O5	C4	H9	115.408

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

using model chemistry: B2PLYP=FULLultrafine/6-31+G**

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: B2PLYP=FULLultrafine/6-31+G**

States and conformations

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