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	hartrees
Energy at 0K	-687.617518
Energy at 298.15K	-687.621650
HF Energy	-687.617518
Nuclear repulsion energy	267.554369

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3450	3135	0.08
2	A'	3428	3115	0.84
3	A'	3408	3097	2.73
4	A'	1757	1597	28.12
5	A'	1659	1508	89.96
6	A'	1524	1385	20.81
7	A'	1359	1235	17.27
8	A'	1300	1181	46.72
9	A'	1227	1115	14.80
10	A'	1178	1070	36.13
11	A'	1087	987	21.19
12	A'	1019	925	37.62
13	A'	972	883	1.96
14	A'	526	478	5.81
15	A'	338	307	0.52
16	A"	998	907	0.07
17	A"	928	843	15.07
18	A"	847	769	81.69
19	A"	701	637	3.42
20	A"	650	590	9.05
21	A"	251	228	3.01

Atom	x (Å)	y (Å)
C1	0.000	0.256
C2	1.292	-0.072
C3	1.305	-1.513
C4	0.027	-1.894
O5	-0.787	-0.816
Cl6	-0.781	1.780
H7	2.123	0.598
H8	2.162	-2.152
H9	-0.456	-2.845

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3329	2.1983	2.1498	1.3304	1.7127	2.1505	3.2360	3.1343
C2	1.3329		1.4415	2.2183	2.2088	2.7796	1.0676	2.2548	3.2781
C3	2.1983	1.4415		1.3341	2.2055	3.8984	2.2644	1.0688	2.2078
C4	2.1498	2.2183	1.3341		1.3502	3.7617	3.2567	2.1510	1.0666
O5	1.3304	2.2088	2.2055	1.3502		2.5968	3.2362	3.2376	2.0556
Cl6	1.7127	2.7796	3.8984	3.7617	2.5968		3.1351	4.9114	4.6368
H7	2.1505	1.0676	2.2644	3.2567	3.2362	3.1351		2.7506	4.3020
H8	3.2360	2.2548	1.0688	2.1510	3.2376	4.9114	2.7506		2.7078
H9	3.1343	3.2781	2.2078	1.0666	2.0556	4.6368	4.3020	2.7078

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	104.752	C1	C2	H7	126.894
C1	O5	C4	106.634	C2	C1	O5	112.062
C2	C1	Cl6	131.346	C2	C3	C4	106.053
C2	C3	H8	127.235	C3	C2	H7	128.353
C3	C4	O5	110.499	C3	C4	H9	133.455
C4	C3	H8	126.712	O5	C1	Cl6	116.592
O5	C4	H9	116.047

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

using model chemistry: HF/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	0.027
2	C	-0.038
3	C	-0.171
4	C	0.002
5	O	-0.156
6	Cl	-0.092
7	H	0.154
8	H	0.140
9	H	0.133

	x	y	z	Total
	1.497	-1.363	0.000	2.025
CHELPG
AIM
ESP

	x	y	z
x	8.344	-1.056	0.000
y	-1.056	9.646	0.000
z	0.000	0.000	4.799

<r²>	177.815
(<r²>)^1/2	13.335

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

using model chemistry: HF/TZVP

States and conformations

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