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	hartrees
Energy at 0K	-688.474844
Energy at 298.15K	-688.478637
HF Energy	-687.569948
Nuclear repulsion energy	263.509264

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3320	3202	0.03
2	A'	3304	3187	0.64
3	A'	3282	3166	1.53
4	A'	1635	1577	13.98
5	A'	1550	1495	63.81
6	A'	1417	1367	12.28
7	A'	1260	1215	44.33
8	A'	1224	1181	38.12
9	A'	1151	1110	5.52
10	A'	1096	1057	18.18
11	A'	1030	993	23.34
12	A'	935	902	26.26
13	A'	893	862	2.03
14	A'	498	481	3.35
15	A'	313	302	0.58
16	A"	841	812	0.01
17	A"	802	774	22.07
18	A"	741	715	58.18
19	A"	617	595	4.53
20	A"	595	574	5.54
21	A"	223	215	2.14

Atom	x (Å)	y (Å)
C1	0.000	0.269
C2	1.320	-0.087
C3	1.318	-1.538
C4	0.004	-1.919
O5	-0.821	-0.816
Cl6	-0.773	1.804
H7	2.170	0.591
H8	2.182	-2.200
H9	-0.500	-2.882

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3668	2.2359	2.1873	1.3601	1.7190	2.1938	3.2944	3.1896
C2	1.3668		1.4508	2.2556	2.2611	2.8203	1.0872	2.2820	3.3348
C3	2.2359	1.4508		1.3683	2.2569	3.9418	2.2925	1.0885	2.2604
C4	2.1873	2.2556	1.3683		1.3767	3.8030	3.3151	2.1960	1.0865
O5	1.3601	2.2611	2.2569	1.3767		2.6207	3.3049	3.3058	2.0904
Cl6	1.7190	2.8203	3.9418	3.8030	2.6207		3.1832	4.9760	4.6938
H7	2.1938	1.0872	2.2925	3.3151	3.3049	3.1832		2.7904	4.3799
H8	3.2944	2.2820	1.0885	2.1960	3.3058	4.9760	2.7904		2.7666
H9	3.1896	3.3348	2.2604	1.0865	2.0904	4.6938	4.3799	2.7666

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	104.998	C1	C2	H7	126.381
C1	O5	C4	106.111	C2	C1	O5	112.035
C2	C1	Cl6	131.785	C2	C3	C4	106.248
C2	C3	H8	127.397	C3	C2	H7	128.620
C3	C4	O5	110.608	C3	C4	H9	133.767
C4	C3	H8	126.355	O5	C1	Cl6	116.180
O5	C4	H9	115.625

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

using model chemistry: CCD/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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