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	hartrees
Energy at 0K	-681.679827
Energy at 298.15K	-681.683242
HF Energy	-681.679827
Nuclear repulsion energy	257.871317

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3531	3151	24.53
2	A'	3517	3139	26.56
3	A'	3492	3117	18.88
4	A'	1698	1515	19.14
5	A'	1582	1412	28.20
6	A'	1486	1326	21.49
7	A'	1332	1189	25.28
8	A'	1262	1126	16.80
9	A'	1186	1058	3.19
10	A'	1144	1021	5.97
11	A'	1079	962	5.92
12	A'	942	840	19.47
13	A'	916	817	2.29
14	A'	498	444	3.24
15	A'	287	256	0.38
16	A"	925	826	0.06
17	A"	854	762	8.30
18	A"	760	678	28.53
19	A"	618	552	0.22
20	A"	583	520	1.09
21	A"	220	197	0.00

Atom	x (Å)	y (Å)
C1	0.000	0.261
C2	1.340	-0.066
C3	1.384	-1.515
C4	0.083	-1.960
O5	-0.830	-0.880
Cl6	-0.841	1.835
H7	2.184	0.628
H8	2.285	-2.135
H9	-0.371	-2.958

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3789	2.2512	2.2224	1.4104	1.7843	2.2145	3.3103	3.2404
C2	1.3789		1.4495	2.2729	2.3170	2.8925	1.0929	2.2741	3.3602
C3	2.2512	1.4495		1.3749	2.3031	4.0209	2.2874	1.0936	2.2721
C4	2.2224	2.2729	1.3749		1.4146	3.9054	3.3334	2.2089	1.0966
O5	1.4104	2.3170	2.3031	1.4146		2.7141	3.3698	3.3582	2.1288
Cl6	1.7843	2.8925	4.0209	3.9054	2.7141		3.2564	5.0520	4.8158
H7	2.2145	1.0929	2.2874	3.3334	3.3698	3.2564		2.7643	4.4032
H8	3.3103	2.2741	1.0936	2.2089	3.3582	5.0520	2.7643		2.7808
H9	3.2404	3.3602	2.2721	1.0966	2.1288	4.8158	4.4032	2.7808

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.461	C1	C2	H7	126.859
C1	O5	C4	103.758	C2	C1	O5	112.334
C2	C1	Cl6	131.830	C2	C3	C4	107.145
C2	C3	H8	126.253	C3	C2	H7	127.680
C3	C4	O5	111.301	C3	C4	H9	133.344
C4	C3	H8	126.602	O5	C1	Cl6	115.836
O5	C4	H9	115.355

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

using model chemistry: B3LYP/STO-3G

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	0.098
2	C	-0.104
3	C	-0.105
4	C	0.005
5	O	-0.114
6	Cl	-0.081
7	H	0.102
8	H	0.095
9	H	0.104

	x	y	z	Total
	1.223	-1.679	0.000	2.077
CHELPG
AIM
ESP

	x	y	z
x	4.913	-1.070	0.000
y	-1.070	6.863	0.000
z	0.000	0.000	0.816

<r²>	187.615
(<r²>)^1/2	13.697

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

using model chemistry: B3LYP/STO-3G

States and conformations

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