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	hartrees
Energy at 0K	-688.710945
Energy at 298.15K	-688.714829
HF Energy	-687.638928
Nuclear repulsion energy	265.849795

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3322	3127	0.00
2	A'	3308	3114	0.78
3	A'	3287	3094	1.60
4	A'	1644	1548	19.14
5	A'	1559	1468	60.55
6	A'	1430	1346	13.84
7	A'	1274	1199	28.54
8	A'	1234	1161	40.16
9	A'	1168	1100	7.10
10	A'	1109	1044	17.37
11	A'	1036	975	22.64
12	A'	947	891	26.80
13	A'	905	851	1.88
14	A'	503	474	3.38
15	A'	317	298	0.41
16	A"	891	839	0.05
17	A"	830	781	18.30
18	A"	765	720	60.10
19	A"	646	608	3.85
20	A"	614	578	6.72
21	A"	232	219	2.12

Atom	x (Å)	y (Å)
C1	0.000	0.265
C2	1.305	-0.089
C3	1.301	-1.528
C4	0.002	-1.903
O5	-0.817	-0.810
Cl6	-0.760	1.792
H7	2.147	0.578
H8	2.154	-2.182
H9	-0.495	-2.855

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3521	2.2160	2.1685	1.3504	1.7053	2.1695	3.2609	3.1591
C2	1.3521		1.4395	2.2337	2.2409	2.7930	1.0739	2.2594	3.2998
C3	2.2160	1.4395		1.3524	2.2366	3.9081	2.2694	1.0750	2.2326
C4	2.1685	2.2337	1.3524		1.3657	3.7728	3.2795	2.1707	1.0734
O5	1.3504	2.2409	2.2366	1.3657		2.6027	3.2725	3.2729	2.0700
Cl6	1.7053	2.7930	3.9081	3.7728	2.6027		3.1504	4.9285	4.6544
H7	2.1695	1.0739	2.2694	3.2795	3.2725	3.1504		2.7600	4.3312
H8	3.2609	2.2594	1.0750	2.1707	3.2729	4.9285	2.7600		2.7331
H9	3.1591	3.2998	2.2326	1.0734	2.0700	4.6544	4.3312	2.7331

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.044	C1	C2	H7	126.456
C1	O5	C4	105.948	C2	C1	O5	112.033
C2	C1	Cl6	131.651	C2	C3	C4	106.230
C2	C3	H8	127.328	C3	C2	H7	128.500
C3	C4	O5	110.746	C3	C4	H9	133.636
C4	C3	H8	126.442	O5	C1	Cl6	116.317
O5	C4	H9	115.618

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

using model chemistry: CCSD/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: CCSD/cc-pVTZ

States and conformations

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