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	hartrees
Energy at 0K	-686.257830
Energy at 298.15K	-686.261625
HF Energy	-686.257830
Nuclear repulsion energy	262.373822

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3335	3209	0.26
2	A'	3313	3187	0.75
3	A'	3290	3165	1.42
4	A'	1588	1528	25.81
5	A'	1486	1430	45.56
6	A'	1389	1337	15.88
7	A'	1269	1221	4.56
8	A'	1173	1128	19.15
9	A'	1129	1086	28.42
10	A'	1042	1002	14.17
11	A'	1028	989	14.49
12	A'	920	885	4.82
13	A'	904	869	26.33
14	A'	487	468	5.11
15	A'	301	290	0.43
16	A"	921	886	0.44
17	A"	862	830	21.81
18	A"	758	730	71.99
19	A"	639	615	0.58
20	A"	616	592	8.78
21	A"	228	219	2.98

Atom	x (Å)	y (Å)
C1	0.000	0.282
C2	1.300	-0.121
C3	1.276	-1.566
C4	-0.030	-1.950
O5	-0.861	-0.813
Cl6	-0.715	1.837
H7	2.166	0.517
H8	2.134	-2.215
H9	-0.539	-2.895

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3614	2.2459	2.2320	1.3933	1.7111	2.1783	3.2854	3.2226
C2	1.3614		1.4451	2.2611	2.2696	2.8096	1.0751	2.2542	3.3280
C3	2.2459	1.4451		1.3610	2.2660	3.9424	2.2648	1.0764	2.2491
C4	2.2320	2.2611	1.3610		1.4082	3.8479	3.3020	2.1807	1.0736
O5	1.3933	2.2696	2.2660	1.4082		2.6539	3.3061	3.3078	2.1070
Cl6	1.7111	2.8096	3.9424	3.8479	2.6539		3.1684	4.9536	4.7352
H7	2.1783	1.0751	2.2648	3.3020	3.3061	3.1684		2.7323	4.3535
H8	3.2854	2.2542	1.0764	2.1807	3.3078	4.9536	2.7323		2.7580
H9	3.2226	3.3280	2.2491	1.0736	2.1070	4.7352	4.3535	2.7580

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	106.272	C1	C2	H7	126.367
C1	O5	C4	105.634	C2	C1	O5	110.948
C2	C1	Cl6	131.921	C2	C3	C4	107.332
C2	C3	H8	126.136	C3	C2	H7	127.362
C3	C4	O5	109.815	C3	C4	H9	134.641
C4	C3	H8	126.532	O5	C1	Cl6	117.131
O5	C4	H9	115.544

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

using model chemistry: B3LYP/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	0.135
2	C	-0.229
3	C	-0.240
4	C	0.071
5	O	-0.470
6	Cl	0.095
7	H	0.208
8	H	0.200
9	H	0.229

	x	y	z	Total
	1.441	-1.219	0.000	1.887
CHELPG
AIM
ESP

	x	y	z
x	7.358	-1.173	0.000
y	-1.173	9.851	0.000
z	0.000	0.000	2.498

<r²>	182.871
(<r²>)^1/2	13.523

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

using model chemistry: B3LYP/3-21G*

States and conformations

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