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	hartrees
Energy at 0K	-689.019723
Energy at 298.15K
HF Energy	-688.836734
Nuclear repulsion energy	259.573521

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3363	3363	0.22
2	A'	3329	3329	0.20
3	A'	3306	3306	2.12
4	A'	1607	1607	20.42
5	A'	1513	1513	50.34
6	A'	1401	1401	11.78
7	A'	1272	1272	8.05
8	A'	1182	1182	26.56
9	A'	1133	1133	31.21
10	A'	1053	1053	19.85
11	A'	1019	1019	20.52
12	A'	910	910	21.81
13	A'	897	897	14.54
14	A'	464	464	4.41
15	A'	294	294	0.41
16	A"	872	872	0.00
17	A"	832	832	28.07
18	A"	740	740	63.36
19	A"	615	615	3.57
20	A"	602	602	6.58
21	A"	218	218	2.59

Atom	x (Å)	y (Å)
C1	0.000	0.265
C2	1.324	-0.066
C3	1.374	-1.512
C4	0.085	-1.968
O5	-0.803	-0.870
Cl6	-0.842	1.828
H7	2.156	0.618
H8	2.265	-2.119
H9	-0.385	-2.934

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3645	2.2463	2.2343	1.3901	1.7751	2.1845	3.2886	3.2224
C2	1.3645		1.4471	2.2696	2.2731	2.8768	1.0771	2.2586	3.3386
C3	2.2463	1.4471		1.3670	2.2689	4.0081	2.2693	1.0784	2.2615
C4	2.2343	2.2696	1.3670		1.4113	3.9070	3.3128	2.1858	1.0747
O5	1.3901	2.2731	2.2689	1.4113		2.6983	3.3114	3.3122	2.1060
Cl6	1.7751	2.8768	4.0081	3.9070	2.6983		3.2325	5.0230	4.7841
H7	2.1845	1.0771	2.2693	3.3128	3.3114	3.2325		2.7391	4.3673
H8	3.2886	2.2586	1.0784	2.1858	3.3122	5.0230	2.7391		2.7727
H9	3.2224	3.3386	2.2615	1.0747	2.1060	4.7841	4.3673	2.7727

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	106.019	C1	C2	H7	126.541
C1	O5	C4	105.791	C2	C1	O5	111.217
C2	C1	Cl6	132.344	C2	C3	C4	107.480
C2	C3	H8	126.208	C3	C2	H7	127.440
C3	C4	O5	109.494	C3	C4	H9	135.370
C4	C3	H8	126.313	O5	C1	Cl6	116.439
O5	C4	H9	115.136

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

using model chemistry: B2PLYP=FULLultrafine/6-31G

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/6-31G

States and conformations

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