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	hartrees
Energy at 0K	-689.631087
Energy at 298.15K	-689.634684
HF Energy	-689.631087
Nuclear repulsion energy	262.310457

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3218	3210	0.13
2	A'	3198	3190	0.25
3	A'	3175	3167	2.12
4	A'	1536	1532	15.53
5	A'	1445	1441	62.25
6	A'	1350	1347	17.41
7	A'	1209	1206	3.36
8	A'	1134	1131	32.99
9	A'	1086	1083	23.39
10	A'	1021	1019	24.52
11	A'	993	991	26.92
12	A'	896	894	27.18
13	A'	872	870	1.57
14	A'	465	464	7.21
15	A'	302	301	0.57
16	A"	814	812	0.04
17	A"	763	761	27.65
18	A"	688	686	55.90
19	A"	593	592	6.17
20	A"	578	577	1.67
21	A"	211	210	2.21

Atom	x (Å)	y (Å)
C1	0.000	0.267
C2	1.319	-0.092
C3	1.326	-1.532
C4	0.021	-1.936
O5	-0.822	-0.831
Cl6	-0.783	1.818
H7	2.169	0.578
H8	2.197	-2.177
H9	-0.478	-2.895

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3673	2.2352	2.2030	1.3721	1.7368	2.1916	3.2863	3.1980
C2	1.3673		1.4406	2.2551	2.2654	2.8399	1.0823	2.2620	3.3296
C3	2.2352	1.4406		1.3656	2.2592	3.9583	2.2728	1.0838	2.2602
C4	2.2030	2.2551	1.3656		1.3893	3.8384	3.3067	2.1896	1.0811
O5	1.3721	2.2654	2.2592	1.3893		2.6493	3.3068	3.3054	2.0921
Cl6	1.7368	2.8399	3.9583	3.8384	2.6493		3.2020	4.9834	4.7224
H7	2.1916	1.0823	2.2728	3.3067	3.3068	3.2020		2.7546	4.3667
H8	3.2863	2.2620	1.0838	2.1896	3.3054	4.9834	2.7546		2.7697
H9	3.1980	3.3296	2.2602	1.0811	2.0921	4.7224	4.3667	2.7697

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.477	C1	C2	H7	126.541
C1	O5	C4	105.836	C2	C1	O5	111.581
C2	C1	Cl6	132.015	C2	C3	C4	106.924
C2	C3	H8	126.716	C3	C2	H7	127.982
C3	C4	O5	110.182	C3	C4	H9	134.642
C4	C3	H8	126.360	O5	C1	Cl6	116.404
O5	C4	H9	115.176

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

using model chemistry: BLYP/TZVP

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	-0.054
2	C	-0.034
3	C	-0.138
4	C	-0.043
5	O	-0.104
6	Cl	-0.029
7	H	0.140
8	H	0.129
9	H	0.134

	x	y	z	Total
	1.271	-1.081	0.000	1.669
CHELPG
AIM
ESP

	x	y	z
x	8.986	-1.301	0.000
y	-1.301	11.460	0.000
z	0.000	0.000	5.041

<r²>	183.741
(<r²>)^1/2	13.555

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

using model chemistry: BLYP/TZVP

States and conformations

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