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	hartrees
Energy at 0K	-689.571427
Energy at 298.15K	-689.575276
HF Energy	-689.571427
Nuclear repulsion energy	265.277327

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3325	3183	0.11
2	A'	3306	3165	0.73
3	A'	3281	3141	1.74
4	A'	1632	1563	20.78
5	A'	1547	1481	64.01
6	A'	1419	1359	16.18
7	A'	1254	1200	30.49
8	A'	1229	1176	32.40
9	A'	1161	1112	6.51
10	A'	1099	1052	12.79
11	A'	1023	980	28.50
12	A'	943	902	25.75
13	A'	899	861	1.59
14	A'	501	479	5.02
15	A'	313	300	0.60
16	A"	886	848	0.18
17	A"	822	787	22.15
18	A"	746	714	64.70
19	A"	639	612	2.52
20	A"	616	590	8.46
21	A"	227	217	2.09

Atom	x (Å)	y (Å)
C1	0.000	0.264
C2	1.311	-0.091
C3	1.306	-1.528
C4	0.001	-1.906
O5	-0.812	-0.812
Cl6	-0.767	1.796
H7	2.159	0.583
H8	2.166	-2.188
H9	-0.501	-2.865

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3579	2.2171	2.1698	1.3473	1.7133	2.1827	3.2718	3.1686
C2	1.3579		1.4370	2.2379	2.2414	2.8066	1.0834	2.2650	3.3131
C3	2.2171	1.4370		1.3580	2.2354	3.9172	2.2766	1.0846	2.2476
C4	2.1698	2.2379	1.3580		1.3634	3.7807	3.2938	2.1832	1.0826
O5	1.3473	2.2414	2.2354	1.3634		2.6078	3.2818	3.2808	2.0768
Cl6	1.7133	2.8066	3.9172	3.7807	2.6078		3.1679	4.9474	4.6683
H7	2.1827	1.0834	2.2766	3.2938	3.2818	3.1679		2.7707	4.3545
H8	3.2718	2.2650	1.0846	2.1832	3.2808	4.9474	2.7707		2.7518
H9	3.1686	3.3131	2.2476	1.0826	2.0768	4.6683	4.3545	2.7518

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	104.950	C1	C2	H7	126.415
C1	O5	C4	106.344	C2	C1	O5	111.901
C2	C1	Cl6	131.740	C2	C3	C4	106.356
C2	C3	H8	127.299	C3	C2	H7	128.634
C3	C4	O5	110.449	C3	C4	H9	133.811
C4	C3	H8	126.345	O5	C1	Cl6	116.359
O5	C4	H9	115.740

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

using model chemistry: wB97X-D/aug-cc-pVDZ

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	-0.369
2	C	1.114
3	C	0.853
4	C	0.118
5	O	-0.413
6	Cl	-0.161
7	H	-0.375
8	H	-0.399
9	H	-0.368

	x	y	z	Total
	1.271	-1.231	0.000	1.769
CHELPG
AIM
ESP

	x	y	z
x	9.603	-1.176	0.000
y	-1.176	11.870	0.000
z	0.000	0.000	6.266

<r²>	179.820
(<r²>)^1/2	13.410

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

using model chemistry: wB97X-D/aug-cc-pVDZ

States and conformations

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