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	hartrees
Energy at 0K	-687.233141
Energy at 298.15K	-687.236851
HF Energy	-687.233141
Nuclear repulsion energy	266.212121

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3236	3187	1.78
2	A'	3220	3172	3.06
3	A'	3201	3153	0.89
4	A'	1587	1563	24.03
5	A'	1506	1483	63.98
6	A'	1392	1371	11.10
7	A'	1238	1219	62.71
8	A'	1204	1186	9.16
9	A'	1156	1138	6.59
10	A'	1075	1058	7.10
11	A'	1003	988	28.39
12	A'	920	906	27.24
13	A'	873	860	0.68
14	A'	500	493	5.06
15	A'	311	307	0.78
16	A"	838	825	0.00
17	A"	764	753	25.89
18	A"	698	688	66.65
19	A"	621	612	9.28
20	A"	598	589	3.99
21	A"	220	216	2.29

Atom	x (Å)	y (Å)
C1	0.000	0.272
C2	1.309	-0.108
C3	1.287	-1.531
C4	-0.024	-1.899
O5	-0.819	-0.797
Cl6	-0.744	1.792
H7	2.173	0.556
H8	2.146	-2.202
H9	-0.545	-2.854

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3633	2.2146	2.1704	1.3466	1.6928	2.1914	3.2743	3.1727
C2	1.3633		1.4231	2.2331	2.2375	2.7976	1.0888	2.2547	3.3138
C3	2.2146	1.4231		1.3620	2.2303	3.8943	2.2666	1.0899	2.2600
C4	2.1704	2.2331	1.3620		1.3585	3.7603	3.2942	2.1913	1.0880
O5	1.3466	2.2375	2.2303	1.3585		2.5902	3.2837	3.2810	2.0751
Cl6	1.6928	2.7976	3.8943	3.7603	2.5902		3.1683	4.9296	4.6503
H7	2.1914	1.0888	2.2666	3.2942	3.2837	3.1683		2.7572	4.3603
H8	3.2743	2.2547	1.0899	2.1913	3.2810	4.9296	2.7572		2.7690
H9	3.1727	3.3138	2.2600	1.0880	2.0751	4.6503	4.3603	2.7690

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.249	C1	C2	H7	126.315
C1	O5	C4	106.711	C2	C1	O5	111.321
C2	C1	Cl6	132.232	C2	C3	C4	106.584
C2	C3	H8	127.082	C3	C2	H7	128.436
C3	C4	O5	110.135	C3	C4	H9	134.274
C4	C3	H8	126.334	O5	C1	Cl6	116.446
O5	C4	H9	115.590

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

using model chemistry: LSDA/6-31+G**

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	-0.408
2	C	0.073
3	C	-0.168
4	C	-0.104
5	O	-0.117
6	Cl	0.193
7	H	0.180
8	H	0.174
9	H	0.179

	x	y	z	Total
	1.182	-1.062	0.000	1.588
CHELPG
AIM
ESP

	x	y	z
x	9.175	-1.188	0.000
y	-1.188	11.589	0.000
z	0.000	0.000	5.516

<r²>	178.640
(<r²>)^1/2	13.366

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

using model chemistry: LSDA/6-31+G**

States and conformations

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