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	hartrees
Energy at 0K	-689.520109
Energy at 298.15K	-689.523667
HF Energy	-689.520109
Nuclear repulsion energy	259.179046

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3235	3209	0.25
2	A'	3224	3198	1.09
3	A'	3199	3173	0.14
4	A'	1548	1535	20.26
5	A'	1476	1464	3.44
6	A'	1361	1350	11.17
7	A'	1222	1212	2.66
8	A'	1177	1168	45.64
9	A'	1147	1137	5.54
10	A'	1058	1049	13.51
11	A'	1002	994	16.05
12	A'	912	905	34.50
13	A'	851	844	26.00
14	A'	455	451	3.70
15	A'	284	282	0.64
16	A"	795	788	4.82
17	A"	722	716	58.03
18	A"	664	658	0.13
19	A"	599	595	1.62
20	A"	586	581	9.75
21	A"	239	238	0.10

Atom	x (Å)	y (Å)
C1	-1.102	-0.541
C2	0.000	0.281
C3	1.167	-0.577
C4	0.670	-1.856
O5	-0.702	-1.853
Cl6	0.001	2.026
H7	-2.171	-0.352
H8	2.208	-0.264
H9	1.142	-2.835

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3748	2.2694	2.2068	1.3716	2.7942	1.0858	3.3216	3.2093
C2	1.3748		1.4485	2.2397	2.2463	1.7451	2.2613	2.2741	3.3189
C3	2.2694	1.4485		1.3725	2.2631	2.8520	3.3458	1.0869	2.2586
C4	2.2068	2.2397	1.3725		1.3720	3.9394	3.2151	2.2139	1.0869
O5	1.3716	2.2463	2.2631	1.3720		3.9422	2.1007	3.3156	2.0893
Cl6	2.7942	1.7451	2.8520	3.9394	3.9422		3.2206	3.1799	4.9934
H7	1.0858	2.2613	3.3458	3.2151	2.1007	3.2206		4.3799	4.1408
H8	3.3216	2.2741	1.0869	2.2139	3.3156	3.1799	4.3799		2.7839
H9	3.2093	3.3189	2.2586	1.0869	2.0893	4.9934	4.1408	2.7839

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	106.969	C1	C2	Cl6	126.763
C1	O5	C4	107.098	C2	C1	O5	109.756
C2	C1	H7	133.230	C2	C3	C4	105.082
C2	C3	H8	126.937	C3	C2	Cl6	126.267
C3	C4	O5	111.095	C3	C4	H9	133.038
C4	C3	H8	127.981	O5	C1	H7	117.014
O5	C4	H9	115.867

All results from a given calculation for C₄H₃ClO (Furan,3-chloro)

using model chemistry: BLYP/6-31G*

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	0.079
2	C	-0.084
3	C	-0.136
4	C	0.089
5	O	-0.359
6	Cl	-0.009
7	H	0.148
8	H	0.132
9	H	0.140

	x	y	z	Total
	0.443	-1.160	0.000	1.242
CHELPG
AIM
ESP

	x	y	z
x	7.847	-0.284	0.000
y	-0.284	10.547	0.000
z	0.000	0.000	3.290

<r²>	188.449
(<r²>)^1/2	13.728

All results from a given calculation for C4H3ClO (Furan,3-chloro)

using model chemistry: BLYP/6-31G*

States and conformations

All results from a given calculation for C₄H₃ClO (Furan,3-chloro)