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	hartrees
Energy at 0K	-689.349436
Energy at 298.15K
HF Energy	-689.019073
Nuclear repulsion energy	265.104940

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3314	3314	0.23
2	A'	3293	3293	0.16
3	A'	3274	3274	2.76
4	A'	1606	1606	21.02
5	A'	1518	1518	58.33
6	A'	1416	1416	16.32
7	A'	1257	1257	9.18
8	A'	1210	1210	59.23
9	A'	1154	1154	8.20
10	A'	1092	1092	17.53
11	A'	1036	1036	23.48
12	A'	938	938	29.69
13	A'	901	901	1.83
14	A'	495	495	4.94
15	A'	314	314	0.54
16	A"	836	836	0.43
17	A"	784	784	30.49
18	A"	724	724	56.36
19	A"	625	625	9.52
20	A"	602	602	2.57
21	A"	220	220	2.29

Atom	x (Å)	y (Å)
C1	0.000	0.265
C2	1.308	-0.104
C3	1.294	-1.538
C4	-0.013	-1.910
O5	-0.825	-0.807
Cl6	-0.748	1.805
H7	2.160	0.555
H8	2.148	-2.197
H9	-0.526	-2.856

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3596	2.2198	2.1751	1.3531	1.7112	2.1797	3.2675	3.1651
C2	1.3596		1.4340	2.2374	2.2459	2.8058	1.0773	2.2547	3.3068
C3	2.2198	1.4340		1.3589	2.2411	3.9171	2.2655	1.0784	2.2468
C4	2.1751	2.2374	1.3589		1.3687	3.7861	3.2862	2.1800	1.0761
O5	1.3531	2.2459	2.2411	1.3687		2.6129	3.2812	3.2812	2.0699
Cl6	1.7112	2.8058	3.9171	3.7861	2.6129		3.1656	4.9394	4.6654
H7	2.1797	1.0773	2.2655	3.2862	3.2812	3.1656		2.7520	4.3417
H8	3.2675	2.2547	1.0784	2.1800	3.2812	4.9394	2.7520		2.7539
H9	3.1651	3.3068	2.2468	1.0761	2.0699	4.6654	4.3417	2.7539

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.203	C1	C2	H7	126.484
C1	O5	C4	106.096	C2	C1	O5	111.767
C2	C1	Cl6	131.707	C2	C3	C4	106.440
C2	C3	H8	127.069	C3	C2	H7	128.312
C3	C4	O5	110.493	C3	C4	H9	134.329
C4	C3	H8	126.491	O5	C1	Cl6	116.525
O5	C4	H9	115.178

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

using model chemistry: B2PLYP=FULLultrafine/6-311G*

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/6-311G*

States and conformations

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