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	hartrees
Energy at 0K	-685.650158
Energy at 298.15K	-685.653878
HF Energy	-685.470192
Nuclear repulsion energy	259.250853

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3356	3356	0.33
2	A'	3335	3335	1.25
3	A'	3309	3309	0.75
4	A'	1587	1587	22.12
5	A'	1489	1489	38.82
6	A'	1390	1390	21.15
7	A'	1280	1280	8.78
8	A'	1178	1178	19.72
9	A'	1122	1122	31.15
10	A'	1035	1035	18.20
11	A'	1019	1019	15.60
12	A'	918	918	5.48
13	A'	897	897	30.49
14	A'	448	448	5.38
15	A'	273	273	0.10
16	A"	900	900	1.12
17	A"	862	862	23.64
18	A"	759	759	73.04
19	A"	634	634	0.54
20	A"	615	615	8.83
21	A"	222	222	2.61

Atom	x (Å)	y (Å)
C1	0.000	0.254
C2	1.316	-0.081
C3	1.355	-1.530
C4	0.065	-1.972
O5	-0.821	-0.867
Cl6	-0.813	1.847
H7	2.148	0.597
H8	2.240	-2.141
H9	-0.404	-2.937

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3579	2.2407	2.2275	1.3901	1.7881	2.1748	3.2796	3.2165
C2	1.3579		1.4494	2.2669	2.2768	2.8724	1.0737	2.2577	3.3329
C3	2.2407	1.4494		1.3634	2.2749	4.0132	2.2706	1.0753	2.2517
C4	2.2275	2.2669	1.3634		1.4165	3.9186	3.3075	2.1812	1.0723
O5	1.3901	2.2768	2.2749	1.4165		2.7139	3.3104	3.3156	2.1112
Cl6	1.7881	2.8724	4.0132	3.9186	2.7139		3.2137	5.0226	4.8009
H7	2.1748	1.0737	2.2706	3.3075	3.3104	3.2137		2.7404	4.3587
H8	3.2796	2.2577	1.0753	2.1812	3.3156	5.0226	2.7404		2.7603
H9	3.2165	3.3329	2.2517	1.0723	2.1112	4.8009	4.3587	2.7603

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.868	C1	C2	H7	126.463
C1	O5	C4	105.057	C2	C1	O5	111.893
C2	C1	Cl6	131.377	C2	C3	C4	107.362
C2	C3	H8	126.180	C3	C2	H7	127.669
C3	C4	O5	109.820	C3	C4	H9	134.825
C4	C3	H8	126.459	O5	C1	Cl6	116.730
O5	C4	H9	115.355

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

using model chemistry: B2PLYP/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	0.042
2	C	-0.241
3	C	-0.251
4	C	0.066
5	O	-0.463
6	Cl	0.172
7	H	0.222
8	H	0.213
9	H	0.239

	x	y	z	Total
	1.721	-1.560	0.000	2.323
CHELPG
AIM
ESP

	x	y	z
x	7.232	-1.356	0.000
y	-1.356	9.566	0.000
z	0.000	0.000	2.169

<r²>	188.166
(<r²>)^1/2	13.717

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

using model chemistry: B2PLYP/3-21G

States and conformations

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