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	hartrees
Energy at 0K	-687.392502
Energy at 298.15K	-687.396625
HF Energy	-687.392502
Nuclear repulsion energy	263.499296

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3526	3184	0.33
2	A'	3485	3147	0.64
3	A'	3463	3127	3.19
4	A'	1773	1600	31.41
5	A'	1665	1503	65.09
6	A'	1520	1372	10.98
7	A'	1379	1245	11.47
8	A'	1289	1164	37.49
9	A'	1222	1104	25.71
10	A'	1138	1028	25.83
11	A'	1107	1000	21.58
12	A'	1004	907	45.08
13	A'	982	887	8.91
14	A'	505	456	4.35
15	A'	318	287	0.52
16	A"	1078	973	1.24
17	A"	1009	911	21.76
18	A"	881	795	87.33
19	A"	712	643	2.15
20	A"	663	598	14.99
21	A"	253	228	4.40

Atom	x (Å)	y (Å)
C1	0.000	0.260
C2	1.302	-0.053
C3	1.356	-1.499
C4	0.087	-1.939
O5	-0.771	-0.858
Cl6	-0.841	1.801
H7	2.121	0.626
H8	2.238	-2.098
H9	-0.370	-2.897

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3390	2.2211	2.2009	1.3583	1.7552	2.1528	3.2511	3.1793
C2	1.3390		1.4463	2.2426	2.2231	2.8337	1.0649	2.2486	3.2989
C3	2.2211	1.4463		1.3430	2.2212	3.9642	2.2586	1.0661	2.2218
C4	2.2009	2.2426	1.3430		1.3799	3.8534	3.2738	2.1566	1.0621
O5	1.3583	2.2231	2.2212	1.3799		2.6601	3.2508	3.2540	2.0782
Cl6	1.7552	2.8337	3.9642	3.8534	2.6601		3.1867	4.9679	4.7219
H7	2.1528	1.0649	2.2586	3.2738	3.2508	3.1867		2.7266	4.3155
H8	3.2511	2.2486	1.0661	2.1566	3.2540	4.9679	2.7266		2.7279
H9	3.1793	3.2989	2.2218	1.0621	2.0782	4.7219	4.3155	2.7279

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.713	C1	C2	H7	126.781
C1	O5	C4	106.987	C2	C1	O5	111.014
C2	C1	Cl6	132.178	C2	C3	C4	106.973
C2	C3	H8	126.351	C3	C2	H7	127.507
C3	C4	O5	109.314	C3	C4	H9	134.644
C4	C3	H8	126.677	O5	C1	Cl6	116.808
O5	C4	H9	116.043

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

using model chemistry: HF/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	0.070
2	C	-0.242
3	C	-0.263
4	C	0.143
5	O	-0.646
6	Cl	0.204
7	H	0.247
8	H	0.236
9	H	0.252

	x	y	z	Total
	2.313	-1.672	0.000	2.854
CHELPG
AIM
ESP

	x	y	z
x	7.607	-1.273	0.000
y	-1.273	9.075	0.000
z	0.000	0.000	2.638

<r²>	183.341
(<r²>)^1/2	13.540

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

using model chemistry: HF/6-31G

States and conformations

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