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	hartrees
Energy at 0K	-689.638179
Energy at 298.15K	-689.642073
HF Energy	-689.638179
Nuclear repulsion energy	266.591154

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3314	3168	0.04
2	A'	3295	3150	0.67
3	A'	3275	3131	1.83
4	A'	1634	1562	21.44
5	A'	1545	1477	60.87
6	A'	1425	1363	18.11
7	A'	1265	1210	22.62
8	A'	1232	1178	37.80
9	A'	1169	1117	8.03
10	A'	1106	1058	13.72
11	A'	1026	981	26.93
12	A'	949	907	26.52
13	A'	906	866	1.94
14	A'	502	480	4.91
15	A'	316	302	0.42
16	A"	914	874	0.03
17	A"	843	805	23.72
18	A"	755	722	56.96
19	A"	654	625	2.99
20	A"	622	595	8.62
21	A"	231	221	1.93

Atom	x (Å)	y (Å)
C1	0.000	0.263
C2	1.301	-0.096
C3	1.292	-1.527
C4	-0.006	-1.898
O5	-0.812	-0.806
Cl6	-0.754	1.792
H7	2.147	0.567
H8	2.144	-2.184
H9	-0.506	-2.849

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3500	2.2071	2.1609	1.3425	1.7048	2.1683	3.2527	3.1523
C2	1.3500		1.4305	2.2256	2.2296	2.7908	1.0746	2.2507	3.2925
C3	2.2071	1.4305		1.3492	2.2241	3.8985	2.2615	1.0757	2.2312
C4	2.1609	2.2256	1.3492		1.3578	3.7652	3.2723	2.1680	1.0743
O5	1.3425	2.2296	2.2241	1.3578		2.5988	3.2622	3.2612	2.0655
Cl6	1.7048	2.7908	3.8985	3.7652	2.5988		3.1487	4.9193	4.6473
H7	2.1683	1.0746	2.2615	3.2723	3.2622	3.1487		2.7503	4.3246
H8	3.2527	2.2507	1.0757	2.1680	3.2612	4.9193	2.7503		2.7317
H9	3.1523	3.2925	2.2312	1.0743	2.0655	4.6473	4.3246	2.7317

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.047	C1	C2	H7	126.464
C1	O5	C4	106.302	C2	C1	O5	111.803
C2	C1	Cl6	131.665	C2	C3	C4	106.354
C2	C3	H8	127.240	C3	C2	H7	128.489
C3	C4	O5	110.493	C3	C4	H9	133.732
C4	C3	H8	126.406	O5	C1	Cl6	116.532
O5	C4	H9	115.776

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

using model chemistry: wB97X-D/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: wB97X-D/cc-pVTZ

States and conformations

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