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	hartrees
Energy at 0K	-689.326466
Energy at 298.15K	-689.330299
HF Energy	-689.326466
Nuclear repulsion energy	266.159825

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3312	3180	0.45
2	A'	3295	3164	1.40
3	A'	3275	3144	1.30
4	A'	1622	1558	22.66
5	A'	1532	1471	67.53
6	A'	1418	1362	17.10
7	A'	1255	1205	15.91
8	A'	1220	1171	49.80
9	A'	1163	1116	7.45
10	A'	1102	1058	15.48
11	A'	1034	993	27.03
12	A'	946	908	29.76
13	A'	904	868	0.99
14	A'	501	481	5.82
15	A'	317	305	0.53
16	A"	866	831	0.02
17	A"	810	778	20.75
18	A"	742	712	67.65
19	A"	637	611	5.07
20	A"	604	580	4.20
21	A"	227	218	2.44

Atom	x (Å)	y (Å)
C1	0.000	0.264
C2	1.303	-0.102
C3	1.289	-1.531
C4	-0.011	-1.902
O5	-0.817	-0.806
Cl6	-0.749	1.798
H7	2.154	0.557
H8	2.143	-2.188
H9	-0.518	-2.852

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3531	2.2095	2.1664	1.3457	1.7066	2.1741	3.2569	3.1588
C2	1.3531		1.4284	2.2285	2.2331	2.7960	1.0770	2.2491	3.2977
C3	2.2095	1.4284		1.3521	2.2271	3.9024	2.2598	1.0782	2.2383
C4	2.1664	2.2285	1.3521		1.3611	3.7728	3.2768	2.1732	1.0763
O5	1.3457	2.2331	2.2271	1.3611		2.6040	3.2686	3.2672	2.0684
Cl6	1.7066	2.7960	3.9024	3.7728	2.6040		3.1570	4.9246	4.6555
H7	2.1741	1.0770	2.2598	3.2768	3.2686	3.1570		2.7453	4.3314
H8	3.2569	2.2491	1.0782	2.1732	3.2672	4.9246	2.7453		2.7424
H9	3.1588	3.2977	2.2383	1.0763	2.0684	4.6555	4.3314	2.7424

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.155	C1	C2	H7	126.554
C1	O5	C4	106.330	C2	C1	O5	111.666
C2	C1	Cl6	131.727	C2	C3	C4	106.512
C2	C3	H8	127.043	C3	C2	H7	128.291
C3	C4	O5	110.337	C3	C4	H9	134.035
C4	C3	H8	126.445	O5	C1	Cl6	116.607
O5	C4	H9	115.628

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

using model chemistry: HSEh1PBE/TZVP

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	-0.047
2	C	-0.052
3	C	-0.154
4	C	-0.070
5	O	-0.076
6	Cl	-0.049
7	H	0.158
8	H	0.145
9	H	0.145

	x	y	z	Total
	1.243	-1.155	0.000	1.697
CHELPG
AIM
ESP

	x	y	z
x	8.548	-1.145	0.000
y	-1.145	10.710	0.000
z	0.000	0.000	4.901

<r²>	178.762
(<r²>)^1/2	13.370

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

using model chemistry: HSEh1PBE/TZVP

States and conformations

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