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	hartrees
Energy at 0K	-689.249826
Energy at 298.15K	-689.253580
HF Energy	-688.957744
Nuclear repulsion energy	264.714678

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3341	3178	0.21
2	A'	3319	3157	0.52
3	A'	3300	3138	1.83
4	A'	1612	1533	16.86
5	A'	1524	1450	68.28
6	A'	1420	1350	12.54
7	A'	1261	1199	11.68
8	A'	1215	1155	56.86
9	A'	1154	1097	8.58
10	A'	1095	1042	14.47
11	A'	1039	988	25.11
12	A'	935	889	28.79
13	A'	896	852	2.39
14	A'	497	473	4.97
15	A'	317	301	0.72
16	A"	847	805	0.51
17	A"	791	753	29.50
18	A"	725	690	65.61
19	A"	613	583	9.13
20	A"	594	564	1.16
21	A"	219	208	2.32

Atom	x (Å)	y (Å)
C1	0.000	0.270
C2	1.312	-0.095
C3	1.307	-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	2.2247	2.1853	1.3582	1.7096	2.1808	3.2717	3.1757
C2	1.3624		1.4347	2.2432	2.2493	2.8111	1.0769	2.2548	3.3119
C3	2.2247	1.4347		1.3618	2.2440	3.9211	2.2655	1.0780	2.2494
C4	2.1853	2.2432	1.3618		1.3737	3.7926	3.2912	2.1807	1.0756
O5	1.3582	2.2493	2.2440	1.3737		2.6132	3.2843	3.2836	2.0766
Cl6	1.7096	2.8111	3.9211	3.7926	2.6132		3.1727	4.9435	4.6723
H7	2.1808	1.0769	2.2655	3.2912	3.2843	3.1727		2.7514	4.3458
H8	3.2717	2.2548	1.0780	2.1807	3.2836	4.9435	2.7514		2.7540
H9	3.1757	3.3119	2.2494	1.0756	2.0766	4.6723	4.3458	2.7540

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.351	C1	C2	H7	126.367
C1	O5	C4	106.241	C2	C1	O5	111.538
C2	C1	Cl6	132.105	C2	C3	C4	106.640
C2	C3	H8	127.052	C3	C2	H7	128.282
C3	C4	O5	110.231	C3	C4	H9	134.360
C4	C3	H8	126.309	O5	C1	Cl6	116.357
O5	C4	H9	115.409

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

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

States and conformations

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