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	hartrees
Energy at 0K	-689.512861
Energy at 298.15K	-689.516676
HF Energy	-689.512861
Nuclear repulsion energy	265.128249

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3307	3191	0.14
2	A'	3292	3177	0.87
3	A'	3269	3155	1.60
4	A'	1619	1563	22.94
5	A'	1531	1478	60.67
6	A'	1412	1363	13.54
7	A'	1238	1195	30.62
8	A'	1218	1175	34.32
9	A'	1159	1118	5.27
10	A'	1091	1053	13.06
11	A'	1019	983	27.72
12	A'	935	902	28.31
13	A'	892	861	1.06
14	A'	498	481	5.45
15	A'	314	303	0.37
16	A"	879	848	0.12
17	A"	807	779	18.40
18	A"	735	709	50.50
19	A"	635	612	3.05
20	A"	614	592	6.25
21	A"	227	219	1.80

Atom	x (Å)	y (Å)
C1	0.000	0.266
C2	1.312	-0.103
C3	1.294	-1.537
C4	-0.016	-1.906
O5	-0.823	-0.805
Cl6	-0.750	1.802
H7	2.170	0.561
H8	2.153	-2.203
H9	-0.532	-2.861

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3628	2.2195	2.1717	1.3503	1.7093	2.1904	3.2762	3.1714
C2	1.3628		1.4338	2.2388	2.2467	2.8074	1.0855	2.2622	3.3167
C3	2.2195	1.4338		1.3615	2.2400	3.9152	2.2734	1.0870	2.2553
C4	2.1717	2.2388	1.3615		1.3645	3.7796	3.2963	2.1899	1.0851
O5	1.3503	2.2467	2.2400	1.3645		2.6078	3.2899	3.2880	2.0761
Cl6	1.7093	2.8074	3.9152	3.7796	2.6078		3.1733	4.9468	4.6676
H7	2.1904	1.0855	2.2734	3.2963	3.2899	3.1733		2.7641	4.3597
H8	3.2762	2.2622	1.0870	2.1899	3.2880	4.9468	2.7641		2.7643
H9	3.1714	3.3167	2.2553	1.0851	2.0761	4.6676	4.3597	2.7643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.028	C1	C2	H7	126.553
C1	O5	C4	106.250	C2	C1	O5	111.805
C2	C1	Cl6	131.753	C2	C3	C4	106.407
C2	C3	H8	127.104	C3	C2	H7	128.420
C3	C4	O5	110.511	C3	C4	H9	134.075
C4	C3	H8	126.489	O5	C1	Cl6	116.442
O5	C4	H9	115.415

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

using model chemistry: B3PW91/cc-pVDZ

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	0.075
2	C	0.005
3	C	-0.036
4	C	0.101
5	O	-0.160
6	Cl	-0.050
7	H	0.015
8	H	0.017
9	H	0.032

	x	y	z	Total
	1.086	-1.158	0.000	1.588
CHELPG
AIM
ESP

	x	y	z
x	8.038	-1.212	0.000
y	-1.212	10.500	0.000
z	0.000	0.000	3.475

<r²>	179.522
(<r²>)^1/2	13.399

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

using model chemistry: B3PW91/cc-pVDZ

States and conformations

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