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	hartrees
Energy at 0K	-688.317470
Energy at 298.15K	-688.321450
HF Energy	-687.591408
Nuclear repulsion energy	267.172624

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3410	3168	0.31
2	A'	3389	3148	0.41
3	A'	3370	3131	2.64
4	A'	1711	1590	26.59
5	A'	1616	1502	69.10
6	A'	1489	1383	18.18
7	A'	1324	1230	43.41
8	A'	1286	1195	31.41
9	A'	1212	1126	11.26
10	A'	1158	1076	20.42
11	A'	1074	998	23.31
12	A'	989	919	33.14
13	A'	939	872	1.33
14	A'	523	486	4.01
15	A'	329	305	0.56
16	A"	902	838	0.27
17	A"	845	785	20.81
18	A"	796	739	70.73
19	A"	670	623	8.02
20	A"	627	582	6.21
21	A"	239	222	2.79

Atom	x (Å)	y (Å)
C1	0.000	0.261
C2	1.297	-0.098
C3	1.281	-1.535
C4	-0.017	-1.893
O5	-0.814	-0.799
Cl6	-0.741	1.792
H7	2.144	0.560
H8	2.128	-2.195
H9	-0.524	-2.837

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3457	2.2064	2.1540	1.3369	1.7008	2.1644	3.2498	3.1417
C2	1.3457		1.4368	2.2237	2.2242	2.7798	1.0726	2.2554	3.2884
C3	2.2064	1.4368		1.3462	2.2207	3.8936	2.2655	1.0735	2.2257
C4	2.1540	2.2237	1.3462		1.3532	3.7552	3.2683	2.1659	1.0717
O5	1.3369	2.2242	2.2207	1.3532		2.5922	3.2551	3.2563	2.0576
Cl6	1.7008	2.7798	3.8936	3.7552	2.5922		3.1372	4.9121	4.6334
H7	2.1644	1.0726	2.2655	3.2683	3.2551	3.1372		2.7548	4.3190
H8	3.2498	2.2554	1.0735	2.1659	3.2563	4.9121	2.7548		2.7290
H9	3.1417	3.2884	2.2257	1.0717	2.0576	4.6334	4.3190	2.7290

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	104.877	C1	C2	H7	126.650
C1	O5	C4	106.388	C2	C1	O5	112.011
C2	C1	Cl6	131.341	C2	C3	C4	106.024
C2	C3	H8	127.304	C3	C2	H7	128.474
C3	C4	O5	110.700	C3	C4	H9	133.689
C4	C3	H8	126.672	O5	C1	Cl6	116.647
O5	C4	H9	115.611

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

using model chemistry: CID/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: CID/6-311G*

States and conformations

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