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	hartrees
Energy at 0K	-689.246523
Energy at 298.15K	-689.250162
HF Energy	-689.246523
Nuclear repulsion energy	263.807799

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3225	3189	0.33
2	A'	3209	3173	0.77
3	A'	3188	3152	1.44
4	A'	1552	1535	19.58
5	A'	1467	1451	62.90
6	A'	1362	1347	14.76
7	A'	1205	1192	4.34
8	A'	1157	1144	55.71
9	A'	1115	1102	8.03
10	A'	1049	1038	17.33
11	A'	1000	989	26.69
12	A'	904	894	27.11
13	A'	871	861	0.83
14	A'	481	475	6.25
15	A'	306	303	0.55
16	A"	810	801	0.11
17	A"	758	750	27.64
18	A"	691	683	56.98
19	A"	601	595	6.59
20	A"	578	571	1.65
21	A"	215	212	2.24

Atom	x (Å)	y (Å)
C1	0.000	0.268
C2	1.315	-0.102
C3	1.305	-1.536
C4	-0.005	-1.920
O5	-0.828	-0.815
Cl6	-0.759	1.810
H7	2.172	0.562
H8	2.169	-2.194
H9	-0.515	-2.876

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3661	2.2268	2.1884	1.3633	1.7188	2.1918	3.2811	3.1863
C2	1.3661		1.4342	2.2463	2.2579	2.8210	1.0844	2.2593	3.3230
C3	2.2268	1.4342		1.3643	2.2508	3.9318	2.2706	1.0858	2.2594
C4	2.1884	2.2463	1.3643		1.3778	3.8062	3.3013	2.1903	1.0836
O5	1.3633	2.2579	2.2508	1.3778		2.6266	3.3006	3.2982	2.0847
Cl6	1.7188	2.8210	3.9318	3.8062	2.6266		3.1855	4.9604	4.6932
H7	2.1918	1.0844	2.2706	3.3013	3.3006	3.1855		2.7561	4.3635
H8	3.2811	2.2593	1.0858	2.1903	3.2982	4.9604	2.7561		2.7686
H9	3.1863	3.3230	2.2594	1.0836	2.0847	4.6932	4.3635	2.7686

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.326	C1	C2	H7	126.489
C1	O5	C4	105.950	C2	C1	O5	111.637
C2	C1	Cl6	131.925	C2	C3	C4	106.750
C2	C3	H8	126.872	C3	C2	H7	128.184
C3	C4	O5	110.337	C3	C4	H9	134.422
C4	C3	H8	126.378	O5	C1	Cl6	116.438
O5	C4	H9	115.241

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

using model chemistry: PBEPBE/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	-0.070
2	C	-0.044
3	C	-0.133
4	C	-0.079
5	O	-0.054
6	Cl	-0.033
7	H	0.144
8	H	0.132
9	H	0.136

	x	y	z	Total
	1.175	-1.060	0.000	1.583
CHELPG
AIM
ESP

	x	y	z
x	8.857	-1.245	0.000
y	-1.245	11.339	0.000
z	0.000	0.000	4.995

<r²>	181.508
(<r²>)^1/2	13.472

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

using model chemistry: PBEPBE/TZVP

States and conformations

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