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	hartrees
Energy at 0K	-689.148511
Energy at 298.15K	-689.152148
HF Energy	-689.148511
Nuclear repulsion energy	263.582769

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3239	3195	0.01
2	A'	3226	3182	0.35
3	A'	3203	3159	1.93
4	A'	1570	1549	19.20
5	A'	1482	1462	55.77
6	A'	1378	1360	12.47
7	A'	1212	1195	8.04
8	A'	1178	1162	52.12
9	A'	1129	1113	6.97
10	A'	1063	1048	14.16
11	A'	1007	993	21.58
12	A'	905	893	30.06
13	A'	865	853	0.82
14	A'	484	477	5.48
15	A'	306	302	0.39
16	A"	825	814	0.00
17	A"	761	751	27.61
18	A"	689	680	37.89
19	A"	600	592	8.04
20	A"	591	583	0.65
21	A"	216	213	1.23

Atom	x (Å)	y (Å)
C1	0.000	0.270
C2	1.321	-0.098
C3	1.312	-1.534
C4	-0.002	-1.919
O5	-0.827	-0.816
Cl6	-0.766	1.806
H7	2.178	0.570
H8	2.179	-2.193
H9	-0.513	-2.877

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3710	2.2309	2.1886	1.3646	1.7167	2.1982	3.2879	3.1884
C2	1.3710		1.4361	2.2502	2.2642	2.8250	1.0867	2.2634	3.3293
C3	2.2309	1.4361		1.3691	2.2564	3.9342	2.2755	1.0882	2.2659
C4	2.1886	2.2502	1.3691		1.3774	3.8027	3.3083	2.1974	1.0861
O5	1.3646	2.2642	2.2564	1.3774		2.6229	3.3086	3.3057	2.0849
Cl6	1.7167	2.8250	3.9342	3.8027	2.6229		3.1923	4.9660	4.6902
H7	2.1982	1.0867	2.2755	3.3083	3.3086	3.1923		2.7629	4.3730
H8	3.2879	2.2634	1.0882	2.1974	3.3057	4.9660	2.7629		2.7772
H9	3.1884	3.3293	2.2659	1.0861	2.0849	4.6902	4.3730	2.7772

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.232	C1	C2	H7	126.473
C1	O5	C4	105.915	C2	C1	O5	111.719
C2	C1	Cl6	132.059	C2	C3	C4	106.650
C2	C3	H8	126.897	C3	C2	H7	128.295
C3	C4	O5	110.484	C3	C4	H9	134.395
C4	C3	H8	126.452	O5	C1	Cl6	116.222
O5	C4	H9	115.120

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

using model chemistry: PBEPBE/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	0.098
2	C	-0.121
3	C	-0.139
4	C	0.098
5	O	-0.360
6	Cl	0.057
7	H	0.122
8	H	0.115
9	H	0.130

	x	y	z	Total
	1.153	-1.173	0.000	1.645
CHELPG
AIM
ESP

	x	y	z
x	8.110	-1.289	0.000
y	-1.289	10.641	0.000
z	0.000	0.000	3.338

<r²>	181.160
(<r²>)^1/2	13.460

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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