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	hartrees
Energy at 0K	-689.056383
Energy at 298.15K	-689.059995
HF Energy	-689.056383
Nuclear repulsion energy	259.200487

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3285	3239	0.21
2	A'	3256	3211	0.22
3	A'	3230	3185	2.38
4	A'	1568	1546	24.27
5	A'	1476	1456	50.68
6	A'	1362	1343	12.15
7	A'	1225	1208	6.19
8	A'	1146	1130	33.24
9	A'	1111	1095	23.01
10	A'	1024	1010	22.48
11	A'	999	985	18.99
12	A'	883	871	26.47
13	A'	871	859	5.64
14	A'	459	452	6.01
15	A'	289	285	0.44
16	A"	867	855	0.17
17	A"	804	793	28.80
18	A"	711	701	63.28
19	A"	596	588	0.56
20	A"	592	584	7.11
21	A"	213	210	2.28

Atom	x (Å)	y (Å)
C1	0.000	0.267
C2	1.330	-0.069
C3	1.373	-1.515
C4	0.076	-1.967
O5	-0.811	-0.867
Cl6	-0.836	1.828
H7	2.171	0.617
H8	2.269	-2.129
H9	-0.402	-2.938

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3714	2.2490	2.2349	1.3939	1.7713	2.1985	3.2997	3.2305
C2	1.3714		1.4462	2.2744	2.2844	2.8795	1.0850	2.2639	3.3513
C3	2.2490	1.4462		1.3731	2.2776	4.0068	2.2757	1.0866	2.2750
C4	2.2349	2.2744	1.3731		1.4130	3.9032	3.3257	2.1988	1.0829
O5	1.3939	2.2844	2.2776	1.4130		2.6952	3.3301	3.3283	2.1117
Cl6	1.7713	2.8795	4.0068	3.9032	2.6952		3.2419	5.0302	4.7866
H7	2.1985	1.0850	2.2757	3.3257	3.3301	3.2419		2.7474	4.3881
H8	3.2997	2.2639	1.0866	2.1988	3.3283	5.0302	2.7474		2.7905
H9	3.2305	3.3513	2.2750	1.0829	2.1117	4.7866	4.3881	2.7905

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.882	C1	C2	H7	126.624
C1	O5	C4	105.543	C2	C1	O5	111.394
C2	C1	Cl6	132.359	C2	C3	C4	107.523
C2	C3	H8	126.134	C3	C2	H7	127.494
C3	C4	O5	109.658	C3	C4	H9	135.402
C4	C3	H8	126.344	O5	C1	Cl6	116.247
O5	C4	H9	114.940

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

using model chemistry: PBEPBE/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	-0.048
2	C	-0.143
3	C	-0.164
4	C	0.055
5	O	-0.416
6	Cl	0.190
7	H	0.173
8	H	0.165
9	H	0.188

	x	y	z	Total
	1.743	-1.367	0.000	2.215
CHELPG
AIM
ESP

	x	y	z
x	7.913	-1.456	0.000
y	-1.456	10.407	0.000
z	0.000	0.000	2.794

<r²>	187.493
(<r²>)^1/2	13.693

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

using model chemistry: PBEPBE/6-31G

States and conformations

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