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	hartrees
Energy at 0K	-684.698523
Energy at 298.15K	-684.702463
HF Energy	-684.163756
Nuclear repulsion energy	263.122713

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3407	3183	0.06
2	A'	3379	3157	0.99
3	A'	3358	3138	1.38
4	A'	1664	1555	25.46
5	A'	1565	1462	48.73
6	A'	1442	1347	13.51
7	A'	1320	1233	8.96
8	A'	1226	1146	26.83
9	A'	1175	1098	30.50
10	A'	1086	1015	18.74
11	A'	1052	983	7.71
12	A'	956	894	17.17
13	A'	942	880	23.31
14	A'	506	473	3.49
15	A'	315	294	0.44
16	A"	929	868	0.28
17	A"	892	833	21.02
18	A"	806	753	75.53
19	A"	669	625	4.44
20	A"	629	588	10.56
21	A"	240	225	3.57

Atom	x (Å)	y (Å)
C1	0.000	0.282
C2	1.296	-0.102
C3	1.286	-1.556
C4	-0.010	-1.945
O5	-0.847	-0.817
Cl6	-0.732	1.824
H7	2.152	0.544
H8	2.147	-2.197
H9	-0.508	-2.893

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3513	2.2438	2.2277	1.3879	1.7068	2.1679	3.2798	3.2153
C2	1.3513		1.4546	2.2589	2.2589	2.7965	1.0724	2.2616	3.3230
C3	2.2438	1.4546		1.3530	2.2575	3.9370	2.2714	1.0733	2.2372
C4	2.2277	2.2589	1.3530		1.4049	3.8380	3.2967	2.1717	1.0704
O5	1.3879	2.2589	2.2575	1.4049		2.6437	3.2933	3.2969	2.1029
Cl6	1.7068	2.7965	3.9370	3.8380	2.6437		3.1557	4.9456	4.7219
H7	2.1679	1.0724	2.2714	3.2967	3.2933	3.1557		2.7403	4.3456
H8	3.2798	2.2616	1.0733	2.1717	3.2969	4.9456	2.7403		2.7452
H9	3.2153	3.3230	2.2372	1.0704	2.1029	4.7219	4.3456	2.7452

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	106.138	C1	C2	H7	126.496
C1	O5	C4	105.808	C2	C1	O5	111.100
C2	C1	Cl6	131.915	C2	C3	C4	107.083
C2	C3	H8	126.264	C3	C2	H7	127.366
C3	C4	O5	109.871	C3	C4	H9	134.466
C4	C3	H8	126.652	O5	C1	Cl6	116.985
O5	C4	H9	115.663

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

using model chemistry: CISD/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: CISD/3-21G*

States and conformations

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