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	hartrees
Energy at 0K	-685.654070
Energy at 298.15K
HF Energy	-685.470203
Nuclear repulsion energy	259.263966

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3356	3356	0.33
2	A'	3335	3335	1.26
3	A'	3309	3309	0.75
4	A'	1587	1587	22.16
5	A'	1489	1489	38.76
6	A'	1391	1391	21.16
7	A'	1280	1280	8.74
8	A'	1178	1178	19.79
9	A'	1123	1123	31.11
10	A'	1035	1035	18.14
11	A'	1019	1019	15.64
12	A'	918	918	5.53
13	A'	897	897	30.43
14	A'	448	448	5.38
15	A'	273	273	0.10
16	A"	900	900	1.25
17	A"	862	862	23.16
18	A"	759	759	73.46
19	A"	635	635	0.54
20	A"	615	615	8.76
21	A"	222	222	2.61

Atom	x (Å)	y (Å)
C1	0.000	0.254
C2	1.316	-0.082
C3	1.354	-1.531
C4	0.064	-1.972
O5	-0.822	-0.867
Cl6	-0.813	1.847
H7	2.148	0.597
H8	2.239	-2.142
H9	-0.405	-2.936

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3578	2.2406	2.2273	1.3900	1.7880	2.1747	3.2795	3.2163
C2	1.3578		1.4493	2.2668	2.2767	2.8722	1.0737	2.2576	3.3328
C3	2.2406	1.4493		1.3634	2.2748	4.0129	2.2705	1.0753	2.2516
C4	2.2273	2.2668	1.3634		1.4164	3.9184	3.3074	2.1811	1.0723
O5	1.3900	2.2767	2.2748	1.4164		2.7139	3.3103	3.3154	2.1111
Cl6	1.7880	2.8722	4.0129	3.9184	2.7139		3.2133	5.0223	4.8008
H7	2.1747	1.0737	2.2705	3.3074	3.3103	3.2133		2.7403	4.3585
H8	3.2795	2.2576	1.0753	2.1811	3.3154	5.0223	2.7403		2.7602
H9	3.2163	3.3328	2.2516	1.0723	2.1111	4.8008	4.3585	2.7602

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.867	C1	C2	H7	126.462
C1	O5	C4	105.055	C2	C1	O5	111.895
C2	C1	Cl6	131.368	C2	C3	C4	107.362
C2	C3	H8	126.180	C3	C2	H7	127.672
C3	C4	O5	109.822	C3	C4	H9	134.825
C4	C3	H8	126.458	O5	C1	Cl6	116.737
O5	C4	H9	115.354

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

using model chemistry: B2PLYP=FULLultrafine/3-21G

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=FULLultrafine/3-21G

States and conformations

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