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	hartrees
Energy at 0K	-689.143639
Energy at 298.15K	-689.147254
HF Energy	-689.143639
Nuclear repulsion energy	263.549872

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3240	3187	0.06
2	A'	3224	3171	0.23
3	A'	3202	3149	2.30
4	A'	1572	1546	19.17
5	A'	1483	1459	55.03
6	A'	1382	1359	12.45
7	A'	1216	1196	7.36
8	A'	1180	1160	52.32
9	A'	1130	1111	7.69
10	A'	1065	1048	14.17
11	A'	1010	993	21.64
12	A'	905	890	30.22
13	A'	866	852	0.95
14	A'	484	476	5.45
15	A'	306	301	0.38
16	A"	819	806	0.00
17	A"	758	745	30.40
18	A"	685	674	37.20
19	A"	600	590	8.52
20	A"	590	580	0.46
21	A"	215	211	1.24

Atom	x (Å)	y (Å)
C1	0.000	0.270
C2	1.321	-0.098
C3	1.312	-1.535
C4	-0.002	-1.919
O5	-0.827	-0.816
Cl6	-0.765	1.807
H7	2.179	0.570
H8	2.180	-2.193
H9	-0.516	-2.876

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3711	2.2314	2.1888	1.3649	1.7168	2.1995	3.2893	3.1884
C2	1.3711		1.4363	2.2501	2.2641	2.8253	1.0877	2.2642	3.3303
C3	2.2314	1.4363		1.3692	2.2566	3.9348	2.2760	1.0891	2.2678
C4	2.1888	2.2501	1.3692		1.3771	3.8030	3.3089	2.1988	1.0869
O5	1.3649	2.2641	2.2566	1.3771		2.6234	3.3098	3.3069	2.0836
Cl6	1.7168	2.8253	3.9348	3.8030	2.6234		3.1937	4.9674	4.6897
H7	2.1995	1.0877	2.2760	3.3089	3.3098	3.1937		2.7631	4.3748
H8	3.2893	2.2642	1.0891	2.1988	3.3069	4.9674	2.7631		2.7811
H9	3.1884	3.3303	2.2678	1.0869	2.0836	4.6897	4.3748	2.7811

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.254	C1	C2	H7	126.507
C1	O5	C4	105.923	C2	C1	O5	111.693
C2	C1	Cl6	132.069	C2	C3	C4	106.624
C2	C3	H8	126.874	C3	C2	H7	128.239
C3	C4	O5	110.507	C3	C4	H9	134.529
C4	C3	H8	126.502	O5	C1	Cl6	116.238
O5	C4	H9	114.965

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

using model chemistry: PBEPBEultrafine/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	0.108
2	C	-0.173
3	C	-0.182
4	C	0.052
5	O	-0.354
6	Cl	0.056
7	H	0.164
8	H	0.157
9	H	0.171

	x	y	z	Total
	1.160	-1.186	0.000	1.659
CHELPG
AIM
ESP

	x	y	z
x	8.067	-1.295	0.000
y	-1.295	10.594	0.000
z	0.000	0.000	3.309

<r²>	181.195
(<r²>)^1/2	13.461

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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