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	hartrees
Energy at 0K	-679.751188
Energy at 298.15K	-679.755082
HF Energy	-679.751188
Nuclear repulsion energy	262.743314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3797	3100	30.42
2	A'	3782	3088	26.92
3	A'	3751	3063	30.35
4	A'	1930	1576	22.28
5	A'	1778	1452	46.16
6	A'	1653	1350	17.23
7	A'	1529	1248	30.57
8	A'	1392	1137	7.96
9	A'	1298	1060	7.62
10	A'	1272	1038	17.68
11	A'	1173	958	4.01
12	A'	1050	858	36.26
13	A'	1013	827	2.30
14	A'	554	452	2.99
15	A'	317	259	0.51
16	A"	1091	891	0.02
17	A"	1018	831	5.68
18	A"	907	740	19.37
19	A"	697	569	0.04
20	A"	663	542	5.92
21	A"	258	210	0.02

Atom	x (Å)	y (Å)
C1	0.000	0.252
C2	1.305	-0.060
C3	1.348	-1.505
C4	0.076	-1.927
O5	-0.803	-0.864
Cl6	-0.822	1.809
H7	2.140	0.621
H8	2.236	-2.116
H9	-0.367	-2.914

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3421	2.2152	2.1803	1.3747	1.7603	2.1720	3.2574	3.1875
C2	1.3421		1.4458	2.2349	2.2561	2.8315	1.0777	2.2570	3.3078
C3	2.2152	1.4458		1.3401	2.2450	3.9616	2.2689	1.0778	2.2198
C4	2.1803	2.2349	1.3401		1.3796	3.8423	3.2789	2.1683	1.0823
O5	1.3747	2.2561	2.2450	1.3796		2.6728	3.2966	3.2872	2.0962
Cl6	1.7603	2.8315	3.9616	3.8423	2.6728		3.1915	4.9758	4.7450
H7	2.1720	1.0777	2.2689	3.2789	3.2966	3.1915		2.7387	4.3340
H8	3.2574	2.2570	1.0778	2.1683	3.2872	4.9758	2.7387		2.7230
H9	3.1875	3.3078	2.2198	1.0823	2.0962	4.7450	4.3340	2.7230

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.171	C1	C2	H7	127.347
C1	O5	C4	104.673	C2	C1	O5	112.275
C2	C1	Cl6	131.281	C2	C3	C4	106.620
C2	C3	H8	126.238	C3	C2	H7	127.482
C3	C4	O5	111.261	C3	C4	H9	132.515
C4	C3	H8	127.142	O5	C1	Cl6	116.444
O5	C4	H9	116.224

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

using model chemistry: HF/STO-3G

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	0.149
2	C	-0.087
3	C	-0.092
4	C	0.056
5	O	-0.187
6	Cl	-0.106
7	H	0.091
8	H	0.083
9	H	0.093

	x	y	z	Total
	1.603	-1.901	0.000	2.486
CHELPG
AIM
ESP

	x	y	z
x	4.767	-0.912	0.000
y	-0.912	6.061	0.000
z	0.000	0.000	0.719

<r²>	182.343
(<r²>)^1/2	13.503

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

using model chemistry: HF/STO-3G

States and conformations

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