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	hartrees
Energy at 0K	-689.130141
Energy at 298.15K	-689.133959
HF Energy	-689.130141
Nuclear repulsion energy	261.714519

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3380	3233	0.54
2	A'	3347	3202	0.73
3	A'	3321	3177	1.95
4	A'	1637	1566	27.05
5	A'	1540	1473	53.10
6	A'	1417	1355	12.06
7	A'	1274	1218	10.76
8	A'	1204	1151	46.68
9	A'	1157	1107	11.04
10	A'	1078	1031	14.16
11	A'	1047	1001	23.08
12	A'	928	888	32.97
13	A'	909	869	4.67
14	A'	480	459	5.12
15	A'	301	288	0.50
16	A"	930	890	0.53
17	A"	865	827	24.82
18	A"	766	733	74.76
19	A"	638	610	1.72
20	A"	618	591	8.35
21	A"	227	217	2.87

Atom	x (Å)	y (Å)
C1	0.000	0.264
C2	1.316	-0.075
C3	1.350	-1.513
C4	0.060	-1.949
O5	-0.801	-0.853
Cl6	-0.818	1.817
H7	2.154	0.601
H8	2.234	-2.130
H9	-0.417	-2.911

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3588	2.2321	2.2138	1.3749	1.7554	2.1797	3.2747	3.2028
C2	1.3588		1.4389	2.2557	2.2555	2.8522	1.0766	2.2511	3.3238
C3	2.2321	1.4389		1.3612	2.2502	3.9743	2.2623	1.0779	2.2530
C4	2.2138	2.2557	1.3612		1.3938	3.8671	3.2992	2.1813	1.0743
O5	1.3749	2.2555	2.2502	1.3938		2.6703	3.2933	3.2929	2.0939
Cl6	1.7554	2.8522	3.9743	3.8671	2.6703		3.2111	4.9899	4.7456
H7	2.1797	1.0766	2.2623	3.2992	3.2933	3.2111		2.7328	4.3527
H8	3.2747	2.2511	1.0779	2.1813	3.2929	4.9899	2.7328		2.7634
H9	3.2028	3.3238	2.2530	1.0743	2.0939	4.7456	4.3527	2.7634

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.811	C1	C2	H7	126.636
C1	O5	C4	106.181	C2	C1	O5	111.194
C2	C1	Cl6	132.244	C2	C3	C4	107.294
C2	C3	H8	126.268	C3	C2	H7	127.553
C3	C4	O5	109.520	C3	C4	H9	135.016
C4	C3	H8	126.438	O5	C1	Cl6	116.562
O5	C4	H9	115.464

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

using model chemistry: HSEh1PBE/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	-0.032
2	C	-0.179
3	C	-0.204
4	C	0.068
5	O	-0.474
6	Cl	0.205
7	H	0.205
8	H	0.195
9	H	0.216

	x	y	z	Total
	1.873	-1.458	0.000	2.373
CHELPG
AIM
ESP

	x	y	z
x	7.664	-1.334	0.000
y	-1.334	9.874	0.000
z	0.000	0.000	2.748

<r²>	184.544
(<r²>)^1/2	13.585

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

using model chemistry: HSEh1PBE/6-31G

States and conformations

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