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	hartrees
Energy at 0K	-689.314068
Energy at 298.15K	-689.317880
HF Energy	-688.967643
Nuclear repulsion energy	265.760722

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3325	3325	0.03
2	A'	3312	3312	0.65
3	A'	3291	3291	1.48
4	A'	1607	1607	20.24
5	A'	1519	1519	47.59
6	A'	1410	1410	17.03
7	A'	1254	1254	13.17
8	A'	1219	1219	45.04
9	A'	1162	1162	7.01
10	A'	1095	1095	13.99
11	A'	1036	1036	21.14
12	A'	937	937	27.92
13	A'	898	898	1.72
14	A'	499	499	4.19
15	A'	313	313	0.28
16	A"	855	855	0.02
17	A"	804	804	26.98
18	A"	742	742	36.29
19	A"	640	640	4.24
20	A"	615	615	4.34
21	A"	229	229	1.24

Atom	x (Å)	y (Å)
C1	0.000	0.267
C2	1.308	-0.098
C3	1.297	-1.530
C4	-0.008	-1.904
O5	-0.820	-0.806
Cl6	-0.754	1.795
H7	2.156	0.563
H8	2.150	-2.186
H9	-0.517	-2.850

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3584	2.2160	2.1705	1.3501	1.7039	2.1766	3.2621	3.1596
C2	1.3584		1.4320	2.2344	2.2429	2.7994	1.0753	2.2515	3.3025
C3	2.2160	1.4320		1.3571	2.2371	3.9065	2.2629	1.0765	2.2435
C4	2.1705	2.2344	1.3571		1.3654	3.7730	3.2817	2.1764	1.0748
O5	1.3501	2.2429	2.2371	1.3654		2.6016	3.2759	3.2751	2.0665
Cl6	1.7039	2.7994	3.9065	3.7730	2.6016		3.1601	4.9279	4.6510
H7	2.1766	1.0753	2.2629	3.2817	3.2759	3.1601		2.7497	4.3357
H8	3.2621	2.2515	1.0765	2.1764	3.2751	4.9279	2.7497		2.7486
H9	3.1596	3.3025	2.2435	1.0748	2.0665	4.6510	4.3357	2.7486

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.120	C1	C2	H7	126.458
C1	O5	C4	106.124	C2	C1	O5	111.803
C2	C1	Cl6	131.846	C2	C3	C4	106.445
C2	C3	H8	127.106	C3	C2	H7	128.421
C3	C4	O5	110.508	C3	C4	H9	134.267
C4	C3	H8	126.449	O5	C1	Cl6	116.352
O5	C4	H9	115.225

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

using model chemistry: B2PLYP=FULL/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

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