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	hartrees
Energy at 0K	-688.640305
Energy at 298.15K	-688.643684
HF Energy	-687.615840
Nuclear repulsion energy	265.282108

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3335	3160	0.06
2	A'	3318	3143	0.53
3	A'	3297	3124	1.74
4	A'	1645	1559	16.76
5	A'	1561	1479	65.37
6	A'	1432	1357	15.52
7	A'	1281	1214	27.43
8	A'	1234	1170	45.96
9	A'	1169	1107	10.66
10	A'	1112	1053	20.43
11	A'	1042	987	22.40
12	A'	951	901	28.06
13	A'	908	860	1.06
14	A'	500	474	3.61
15	A'	316	299	0.45
16	A"	760	720	27.38
17	A"	709	671	53.85
18	A"	692	655	0.18
19	A"	594	563	13.03
20	A"	257	244	0.01
21	A"	211	200	2.49

Atom	x (Å)	y (Å)
C1	0.000	0.263
C2	1.306	-0.084
C3	1.311	-1.524
C4	0.014	-1.908
O5	-0.813	-0.818
Cl6	-0.772	1.795
H7	2.147	0.585
H8	2.170	-2.171
H9	-0.479	-2.863

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3511	2.2163	2.1714	1.3526	1.7157	2.1707	3.2615	3.1621
C2	1.3511		1.4397	2.2347	2.2417	2.8017	1.0749	2.2591	3.3019
C3	2.2163	1.4397		1.3520	2.2375	3.9187	2.2688	1.0761	2.2347
C4	2.1714	2.2347	1.3520		1.3682	3.7861	3.2807	2.1719	1.0742
O5	1.3526	2.2417	2.2375	1.3682		2.6139	3.2751	3.2755	2.0714
Cl6	1.7157	2.8017	3.9187	3.7861	2.6139		3.1596	4.9388	4.6671
H7	2.1707	1.0749	2.2688	3.2807	3.2751	3.1596		2.7566	4.3335
H8	3.2615	2.2591	1.0761	2.1719	3.2755	4.9388	2.7566		2.7378
H9	3.1621	3.3019	2.2347	1.0742	2.0714	4.6671	4.3335	2.7378

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.106	C1	C2	H7	126.580
C1	O5	C4	105.891	C2	C1	O5	112.021
C2	C1	Cl6	131.641	C2	C3	C4	106.304
C2	C3	H8	127.188	C3	C2	H7	128.315
C3	C4	O5	110.679	C3	C4	H9	133.842
C4	C3	H8	126.508	O5	C1	Cl6	116.339
O5	C4	H9	115.479

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/TZVP

States and conformations

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