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	hartrees
Energy at 0K	-689.549514
Energy at 298.15K	-689.553309
HF Energy	-689.549514
Nuclear repulsion energy	265.836715

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3298	3175	0.24
2	A'	3278	3156	0.28
3	A'	3257	3136	3.01
4	A'	1616	1556	23.10
5	A'	1525	1468	62.51
6	A'	1417	1364	16.11
7	A'	1251	1205	11.52
8	A'	1215	1170	55.30
9	A'	1158	1114	8.17
10	A'	1096	1056	16.88
11	A'	1033	995	24.74
12	A'	940	905	31.27
13	A'	900	867	1.42
14	A'	498	480	5.72
15	A'	316	304	0.59
16	A"	864	831	0.00
17	A"	797	767	26.69
18	A"	730	703	61.69
19	A"	634	610	5.47
20	A"	613	590	6.34
21	A"	224	216	2.46

Atom	x (Å)	y (Å)
C1	0.000	0.265
C2	1.305	-0.105
C3	1.289	-1.535
C4	-0.016	-1.903
O5	-0.821	-0.804
Cl6	-0.745	1.800
H7	2.160	0.553
H8	2.143	-2.196
H9	-0.531	-2.850

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3568	2.2140	2.1679	1.3481	1.7061	2.1793	3.2634	3.1597
C2	1.3568		1.4307	2.2315	2.2388	2.7986	1.0789	2.2529	3.3026
C3	2.2140	1.4307		1.3555	2.2333	3.9063	2.2635	1.0801	2.2447
C4	2.1679	2.2315	1.3555		1.3625	3.7737	3.2818	2.1789	1.0778
O5	1.3481	2.2388	2.2333	1.3625		2.6048	3.2760	3.2751	2.0664
Cl6	1.7061	2.7986	3.9063	3.7737	2.6048		3.1612	4.9304	4.6544
H7	2.1793	1.0789	2.2635	3.2818	3.2760	3.1612		2.7498	4.3387
H8	3.2634	2.2529	1.0801	2.1789	3.2751	4.9304	2.7498		2.7527
H9	3.1597	3.3026	2.2447	1.0778	2.0664	4.6544	4.3387	2.7527

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.143	C1	C2	H7	126.574
C1	O5	C4	106.223	C2	C1	O5	111.728
C2	C1	Cl6	131.713	C2	C3	C4	106.404
C2	C3	H8	127.047	C3	C2	H7	128.283
C3	C4	O5	110.502	C3	C4	H9	134.267
C4	C3	H8	126.548	O5	C1	Cl6	116.560
O5	C4	H9	115.231

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

using model chemistry: B3PW91/6-311G*

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	0.107
2	C	-0.218
3	C	-0.267
4	C	-0.044
5	O	-0.216
6	Cl	-0.041
7	H	0.229
8	H	0.217
9	H	0.232

	x	y	z	Total
	1.276	-1.253	0.000	1.789
CHELPG
AIM
ESP

	x	y	z
x	8.070	-1.327	0.000
y	-1.327	10.586	0.000
z	0.000	0.000	3.730

<r²>	178.991
(<r²>)^1/2	13.379

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

using model chemistry: B3PW91/6-311G*

States and conformations

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