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	hartrees
Energy at 0K	-689.159246
Energy at 298.15K	-689.162879
HF Energy	-689.159246
Nuclear repulsion energy	263.452145

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3238	3201	0.22
2	A'	3221	3185	0.53
3	A'	3200	3163	1.89
4	A'	1559	1541	18.09
5	A'	1474	1457	65.99
6	A'	1370	1354	12.07
7	A'	1205	1192	7.01
8	A'	1170	1157	58.11
9	A'	1120	1107	7.24
10	A'	1057	1045	13.74
11	A'	1003	992	25.74
12	A'	902	892	27.84
13	A'	864	854	1.12
14	A'	484	479	5.96
15	A'	308	304	0.72
16	A"	827	817	0.04
17	A"	759	750	30.92
18	A"	689	681	61.72
19	A"	597	591	8.53
20	A"	586	579	1.28
21	A"	215	212	2.12

Atom	x (Å)	y (Å)
C1	0.000	0.272
C2	1.321	-0.098
C3	1.312	-1.536
C4	-0.004	-1.921
O5	-0.827	-0.814
Cl6	-0.765	1.807
H7	2.179	0.569
H8	2.177	-2.196
H9	-0.517	-2.879

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3724	2.2341	2.1939	1.3657	1.7146	2.1993	3.2916	3.1934
C2	1.3724		1.4376	2.2537	2.2644	2.8253	1.0872	2.2655	3.3332
C3	2.2341	1.4376		1.3708	2.2571	3.9355	2.2772	1.0886	2.2688
C4	2.1939	2.2537	1.3708		1.3795	3.8054	3.3121	2.1985	1.0863
O5	1.3657	2.2644	2.2571	1.3795		2.6224	3.3093	3.3068	2.0874
Cl6	1.7146	2.8253	3.9355	3.8054	2.6224		3.1934	4.9680	4.6924
H7	2.1993	1.0872	2.2772	3.3121	3.3093	3.1934		2.7654	4.3772
H8	3.2916	2.2655	1.0886	2.1985	3.3068	4.9680	2.7654		2.7798
H9	3.1934	3.3332	2.2688	1.0863	2.0874	4.6924	4.3772	2.7798

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.297	C1	C2	H7	126.417
C1	O5	C4	106.103	C2	C1	O5	111.583
C2	C1	Cl6	132.164	C2	C3	C4	106.712
C2	C3	H8	126.932	C3	C2	H7	128.286
C3	C4	O5	110.304	C3	C4	H9	134.533
C4	C3	H8	126.356	O5	C1	Cl6	116.253
O5	C4	H9	115.163

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

using model chemistry: PBEPBEultrafine/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	-0.422
2	C	0.103
3	C	-0.153
4	C	-0.084
5	O	-0.110
6	Cl	0.184
7	H	0.163
8	H	0.158
9	H	0.163

	x	y	z	Total
	1.224	-1.088	0.000	1.638
CHELPG
AIM
ESP

	x	y	z
x	9.355	-1.247	0.000
y	-1.247	11.777	0.000
z	0.000	0.000	5.583

<r²>	181.954
(<r²>)^1/2	13.489

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

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

States and conformations

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