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	hartrees
Energy at 0K	-685.750888
Energy at 298.15K	-685.754692
HF Energy	-685.750888
Nuclear repulsion energy	261.208940

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3360	3237	0.86
2	A'	3342	3219	2.36
3	A'	3314	3192	0.80
4	A'	1614	1555	30.48
5	A'	1512	1457	41.88
6	A'	1399	1348	20.01
7	A'	1276	1229	10.69
8	A'	1189	1146	36.63
9	A'	1148	1106	12.35
10	A'	1059	1020	16.53
11	A'	1038	1000	15.66
12	A'	928	894	16.30
13	A'	911	878	21.94
14	A'	465	448	6.15
15	A'	279	268	0.16
16	A"	939	904	1.72
17	A"	884	851	23.59
18	A"	773	744	83.73
19	A"	649	625	0.50
20	A"	624	601	9.42
21	A"	230	222	3.06

Atom	x (Å)	y (Å)
C1	0.000	0.256
C2	1.307	-0.098
C3	1.321	-1.540
C4	0.027	-1.956
O5	-0.828	-0.845
Cl6	-0.776	1.841
H7	2.150	0.568
H8	2.196	-2.168
H9	-0.457	-2.914

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3540	2.2298	2.2119	1.3772	1.7653	2.1728	3.2706	3.2031
C2	1.3540		1.4423	2.2562	2.2616	2.8462	1.0749	2.2526	3.3231
C3	2.2298	1.4423		1.3596	2.2589	3.9793	2.2659	1.0765	2.2473
C4	2.2119	2.2562	1.3596		1.4018	3.8812	3.2987	2.1795	1.0737
O5	1.3772	2.2616	2.2589	1.4018		2.6865	3.2963	3.3006	2.1027
Cl6	1.7653	2.8462	3.9793	3.8812	2.6865		3.1911	4.9907	4.7665
H7	2.1728	1.0749	2.2659	3.2987	3.2963	3.1911		2.7368	4.3506
H8	3.2706	2.2526	1.0765	2.1795	3.3006	4.9907	2.7368		2.7559
H9	3.2031	3.3231	2.2473	1.0737	2.1027	4.7665	4.3506	2.7559

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.722	C1	C2	H7	126.515
C1	O5	C4	105.485	C2	C1	O5	111.796
C2	C1	Cl6	131.239	C2	C3	C4	107.231
C2	C3	H8	126.227	C3	C2	H7	127.763
C3	C4	O5	109.765	C3	C4	H9	134.575
C4	C3	H8	126.541	O5	C1	Cl6	116.965
O5	C4	H9	115.660

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

using model chemistry: HSEh1PBE/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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Number	Element	Mulliken
1	C	0.003
2	C	-0.259
3	C	-0.278
4	C	0.050
5	O	-0.472
6	Cl	0.212
7	H	0.245
8	H	0.236
9	H	0.263

	x	y	z	Total
	1.669	-1.541	0.000	2.272
CHELPG
AIM
ESP

	x	y	z
x	7.161	-1.288	0.000
y	-1.288	9.592	0.000
z	0.000	0.000	2.224

<r²>	185.298
(<r²>)^1/2	13.612

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

using model chemistry: HSEh1PBE/3-21G

States and conformations

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