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	hartrees
Energy at 0K	-689.379103
Energy at 298.15K	-689.382886
HF Energy	-689.379103
Nuclear repulsion energy	261.183433

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3365	3222	0.31
2	A'	3333	3192	0.41
3	A'	3308	3168	2.23
4	A'	1624	1555	25.49
5	A'	1526	1462	52.94
6	A'	1408	1349	12.34
7	A'	1268	1214	9.41
8	A'	1193	1142	42.35
9	A'	1148	1099	15.84
10	A'	1067	1022	15.16
11	A'	1040	996	22.62
12	A'	921	882	31.91
13	A'	902	864	5.43
14	A'	474	454	5.41
15	A'	299	286	0.50
16	A"	922	883	0.43
17	A"	856	820	25.34
18	A"	758	726	73.41
19	A"	630	604	1.49
20	A"	613	587	8.19
21	A"	224	215	2.78

Atom	x (Å)	y (Å)
C1	0.000	0.264
C2	1.318	-0.074
C3	1.355	-1.514
C4	0.064	-1.953
O5	-0.802	-0.856
Cl6	-0.823	1.821
H7	2.156	0.604
H8	2.240	-2.129
H9	-0.412	-2.916

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3608	2.2353	2.2180	1.3783	1.7605	2.1823	3.2784	3.2072
C2	1.3608		1.4406	2.2591	2.2603	2.8587	1.0771	2.2529	3.3278
C3	2.2353	1.4406		1.3631	2.2548	3.9825	2.2639	1.0785	2.2556
C4	2.2180	2.2591	1.3631		1.3973	3.8762	3.3030	2.1834	1.0748
O5	1.3783	2.2603	2.2548	1.3973		2.6772	3.2986	3.2980	2.0965
Cl6	1.7605	2.8587	3.9825	3.8762	2.6772		3.2176	4.9984	4.7547
H7	2.1823	1.0771	2.2639	3.3030	3.2986	3.2176		2.7341	4.3570
H8	3.2784	2.2529	1.0785	2.1834	3.2980	4.9984	2.7341		2.7667
H9	3.2072	3.3278	2.2556	1.0748	2.0965	4.7547	4.3570	2.7667

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.828	C1	C2	H7	126.659
C1	O5	C4	106.089	C2	C1	O5	111.214
C2	C1	Cl6	132.244	C2	C3	C4	107.335
C2	C3	H8	126.235	C3	C2	H7	127.513
C3	C4	O5	109.534	C3	C4	H9	135.081
C4	C3	H8	126.429	O5	C1	Cl6	116.542
O5	C4	H9	115.385

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

using model chemistry: B3PW91/6-31G

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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Number	Element	Mulliken
1	C	-0.028
2	C	-0.175
3	C	-0.198
4	C	0.065
5	O	-0.467
6	Cl	0.197
7	H	0.201
8	H	0.192
9	H	0.212

	x	y	z	Total
	1.877	-1.455	0.000	2.375
CHELPG
AIM
ESP

	x	y	z
x	7.705	-1.360	0.000
y	-1.360	9.959	0.000
z	0.000	0.000	2.753

<r²>	185.159
(<r²>)^1/2	13.607

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

using model chemistry: B3PW91/6-31G

States and conformations

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