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	hartrees
Energy at 0K	-689.632967
Energy at 298.15K	-689.636719
HF Energy	-689.632967
Nuclear repulsion energy	264.625278

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3311	3175	0.15
2	A'	3293	3157	0.25
3	A'	3270	3135	3.15
4	A'	1614	1548	17.94
5	A'	1520	1457	58.82
6	A'	1417	1359	14.55
7	A'	1254	1203	7.58
8	A'	1208	1158	49.20
9	A'	1152	1105	11.41
10	A'	1092	1047	17.11
11	A'	1037	994	21.85
12	A'	926	887	32.89
13	A'	885	849	1.96
14	A'	492	472	5.62
15	A'	311	298	0.41
16	A"	865	829	0.00
17	A"	800	767	26.74
18	A"	727	697	43.54
19	A"	614	589	6.42
20	A"	604	579	2.17
21	A"	223	214	1.43

Atom	x (Å)	y (Å)
C1	0.000	0.268
C2	1.316	-0.088
C3	1.317	-1.522
C4	0.013	-1.913
O5	-0.815	-0.818
Cl6	-0.777	1.795
H7	2.162	0.581
H8	2.181	-2.169
H9	-0.489	-2.866

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3629	2.2223	2.1811	1.3583	1.7130	2.1843	3.2712	3.1725
C2	1.3629		1.4341	2.2421	2.2525	2.8147	1.0787	2.2546	3.3130
C3	2.2223	1.4341		1.3612	2.2452	3.9223	2.2664	1.0802	2.2513
C4	2.1811	2.2421	1.3612		1.3727	3.7910	3.2920	2.1834	1.0776
O5	1.3583	2.2525	2.2452	1.3727		2.6135	3.2896	3.2872	2.0739
Cl6	1.7130	2.8147	3.9223	3.7910	2.6135		3.1793	4.9464	4.6702
H7	2.1843	1.0787	2.2664	3.2920	3.2896	3.1793		2.7508	4.3487
H8	3.2712	2.2546	1.0802	2.1834	3.2872	4.9464	2.7508		2.7596
H9	3.1725	3.3130	2.2513	1.0776	2.0739	4.6702	4.3487	2.7596

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.195	C1	C2	H7	126.530
C1	O5	C4	105.999	C2	C1	O5	111.741
C2	C1	Cl6	132.107	C2	C3	C4	106.641
C2	C3	H8	126.893	C3	C2	H7	128.276
C3	C4	O5	110.424	C3	C4	H9	134.453
C4	C3	H8	126.467	O5	C1	Cl6	116.152
O5	C4	H9	115.122

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

using model chemistry: TPSSh/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	0.123
2	C	-0.144
3	C	-0.165
4	C	0.105
5	O	-0.401
6	Cl	0.051
7	H	0.144
8	H	0.136
9	H	0.151

	x	y	z	Total
	1.288	-1.261	0.000	1.803
CHELPG
AIM
ESP

	x	y	z
x	8.019	-1.261	0.000
y	-1.261	10.324	0.000
z	0.000	0.000	3.308

<r²>	179.966
(<r²>)^1/2	13.415

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

using model chemistry: TPSSh/6-31G**

States and conformations

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