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	hartrees
Energy at 0K	-689.614285
Energy at 298.15K	-689.617896
HF Energy	-689.614285
Nuclear repulsion energy	262.409650

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3210	3197	0.03
2	A'	3190	3178	0.23
3	A'	3167	3155	3.04
4	A'	1536	1530	17.61
5	A'	1444	1438	56.76
6	A'	1349	1344	17.89
7	A'	1204	1199	3.05
8	A'	1135	1131	38.71
9	A'	1090	1085	20.08
10	A'	1024	1020	26.05
11	A'	993	990	23.63
12	A'	897	893	28.30
13	A'	871	868	1.72
14	A'	465	464	7.01
15	A'	301	300	0.53
16	A"	832	829	0.00
17	A"	765	762	25.93
18	A"	692	690	51.48
19	A"	595	593	6.78
20	A"	591	588	2.35
21	A"	208	208	1.98

Atom	x (Å)	y (Å)
C1	0.000	0.267
C2	1.321	-0.094
C3	1.323	-1.535
C4	0.014	-1.933
O5	-0.825	-0.828
Cl6	-0.778	1.817
H7	2.172	0.576
H8	2.193	-2.184
H9	-0.489	-2.891

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3692	2.2357	2.1996	1.3704	1.7343	2.1943	3.2882	3.1952
C2	1.3692		1.4418	2.2560	2.2676	2.8383	1.0831	2.2645	3.3314
C3	2.2357	1.4418		1.3676	2.2611	3.9563	2.2757	1.0847	2.2624
C4	2.1996	2.2560	1.3676		1.3874	3.8323	3.3091	2.1927	1.0821
O5	1.3704	2.2676	2.2611	1.3874		2.6449	3.3093	3.3079	2.0903
Cl6	1.7343	2.8383	3.9563	3.8323	2.6449		3.2009	4.9829	4.7165
H7	2.1943	1.0831	2.2757	3.3091	3.3093	3.2009		2.7595	4.3702
H8	3.2882	2.2645	1.0847	2.1927	3.3079	4.9829	2.7595		2.7729
H9	3.1952	3.3314	2.2624	1.0821	2.0903	4.7165	4.3702	2.7729

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.344	C1	C2	H7	126.561
C1	O5	C4	105.802	C2	C1	O5	111.730
C2	C1	Cl6	131.923	C2	C3	C4	106.807
C2	C3	H8	126.777	C3	C2	H7	128.095
C3	C4	O5	110.317	C3	C4	H9	134.582
C4	C3	H8	126.415	O5	C1	Cl6	116.347
O5	C4	H9	115.101

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

using model chemistry: BLYP/6-311G**

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	-0.069
3	C	-0.135
4	C	0.053
5	O	-0.200
6	Cl	-0.037
7	H	0.106
8	H	0.100
9	H	0.113

	x	y	z	Total
	1.282	-1.221	0.000	1.770
CHELPG
AIM
ESP

	x	y	z
x	8.447	-1.476	0.000
y	-1.476	11.255	0.000
z	0.000	0.000	3.814

<r²>	183.494
(<r²>)^1/2	13.546

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

using model chemistry: BLYP/6-311G**

States and conformations

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