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	hartrees
Energy at 0K	-688.546028
Energy at 298.15K	-688.549828
HF Energy	-687.546504
Nuclear repulsion energy	265.843778

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3345	3160	0.32
2	A'	3334	3149	2.41
3	A'	3314	3130	0.66
4	A'	1593	1505	13.44
5	A'	1507	1424	39.93
6	A'	1414	1336	18.80
7	A'	1273	1202	65.10
8	A'	1238	1169	18.15
9	A'	1180	1115	4.00
10	A'	1102	1041	9.25
11	A'	1043	985	21.47
12	A'	934	882	25.60
13	A'	890	841	1.46
14	A'	505	477	3.14
15	A'	313	296	0.28
16	A"	839	793	0.05
17	A"	792	748	31.67
18	A"	732	691	35.76
19	A"	636	600	5.85
20	A"	608	575	2.06
21	A"	228	215	1.24

Atom	x (Å)	y (Å)
C1	0.000	0.267
C2	1.313	-0.109
C3	1.290	-1.536
C4	-0.025	-1.900
O5	-0.827	-0.797
Cl6	-0.741	1.796
H7	2.164	0.550
H8	2.135	-2.203
H9	-0.544	-2.842

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3659	2.2166	2.1674	1.3485	1.6989	2.1822	3.2653	3.1570
C2	1.3659		1.4265	2.2355	2.2483	2.8017	1.0763	2.2494	3.3045
C3	2.2166	1.4265		1.3644	2.2419	3.9017	2.2614	1.0774	2.2518
C4	2.1674	2.2355	1.3644		1.3633	3.7646	3.2854	2.1819	1.0760
O5	1.3485	2.2483	2.2419	1.3633		2.5950	3.2807	3.2792	2.0644
Cl6	1.6989	2.8017	3.9017	3.7646	2.5950		3.1609	4.9261	4.6427
H7	2.1822	1.0763	2.2614	3.2854	3.2807	3.1609		2.7530	4.3407
H8	3.2653	2.2494	1.0774	2.1819	3.2792	4.9261	2.7530		2.7550
H9	3.1570	3.3045	2.2518	1.0760	2.0644	4.6427	4.3407	2.7550

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.064	C1	C2	H7	126.230
C1	O5	C4	106.115	C2	C1	O5	111.843
C2	C1	Cl6	131.866	C2	C3	C4	106.425
C2	C3	H8	127.330	C3	C2	H7	128.706
C3	C4	O5	110.553	C3	C4	H9	134.321
C4	C3	H8	126.245	O5	C1	Cl6	116.290
O5	C4	H9	115.126

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

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

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