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	hartrees
Energy at 0K	-688.703638
Energy at 298.15K	-688.707541
HF Energy	-687.639165
Nuclear repulsion energy	266.101955

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3327	3106	0.00
2	A'	3314	3094	0.91
3	A'	3293	3075	1.43
4	A'	1652	1543	15.63
5	A'	1561	1458	60.75
6	A'	1437	1342	15.18
7	A'	1287	1202	46.89
8	A'	1244	1162	31.04
9	A'	1175	1097	7.98
10	A'	1118	1044	16.86
11	A'	1040	971	22.44
12	A'	952	888	26.90
13	A'	908	848	1.87
14	A'	505	472	3.29
15	A'	318	297	0.41
16	A"	896	837	0.06
17	A"	835	779	18.00
18	A"	768	717	60.34
19	A"	651	607	3.77
20	A"	617	576	6.75
21	A"	233	218	2.10

Atom	x (Å)	y (Å)
C1	0.000	0.265
C2	1.304	-0.093
C3	1.296	-1.531
C4	-0.004	-1.901
O5	-0.817	-0.807
Cl6	-0.754	1.793
H7	2.147	0.572
H8	2.146	-2.188
H9	-0.503	-2.851

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3519	2.2141	2.1654	1.3475	1.7045	2.1689	3.2590	3.1561
C2	1.3519		1.4377	2.2316	2.2379	2.7916	1.0736	2.2580	3.2974
C3	2.2141	1.4377		1.3520	2.2335	3.9052	2.2680	1.0748	2.2317
C4	2.1654	2.2316	1.3520		1.3627	3.7691	3.2774	2.1698	1.0733
O5	1.3475	2.2379	2.2335	1.3627		2.6007	3.2690	3.2694	2.0682
Cl6	1.7045	2.7916	3.9052	3.7691	2.6007		3.1480	4.9256	4.6509
H7	2.1689	1.0736	2.2680	3.2774	3.2690	3.1480		2.7594	4.3288
H8	3.2590	2.2580	1.0748	2.1698	3.2694	4.9256	2.7594		2.7312
H9	3.1561	3.2974	2.2317	1.0733	2.0682	4.6509	4.3288	2.7312

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.020	C1	C2	H7	126.425
C1	O5	C4	106.062	C2	C1	O5	111.994
C2	C1	Cl6	131.606	C2	C3	C4	106.204
C2	C3	H8	127.384	C3	C2	H7	128.555
C3	C4	O5	110.720	C3	C4	H9	133.577
C4	C3	H8	126.413	O5	C1	Cl6	116.400
O5	C4	H9	115.703

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

using model chemistry: CCD/cc-pVTZ

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: CCD/cc-pVTZ

States and conformations

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