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	hartrees
Energy at 0K	-689.280919
Energy at 298.15K	-689.284744
HF Energy	-689.280919
Nuclear repulsion energy	265.494201

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3319	3193	0.35
2	A'	3302	3177	1.08
3	A'	3279	3155	1.59
4	A'	1623	1561	21.36
5	A'	1537	1479	63.55
6	A'	1414	1361	13.32
7	A'	1242	1195	23.99
8	A'	1222	1176	38.83
9	A'	1158	1114	4.47
10	A'	1094	1053	12.95
11	A'	1026	987	27.48
12	A'	939	903	25.87
13	A'	895	862	1.36
14	A'	503	484	4.86
15	A'	312	301	0.61
16	A"	867	834	0.24
17	A"	802	772	19.58
18	A"	736	708	65.19
19	A"	633	609	3.42
20	A"	614	591	7.24
21	A"	226	218	2.03

Atom	x (Å)	y (Å)
C1	0.000	0.267
C2	1.310	-0.098
C3	1.297	-1.531
C4	-0.010	-1.905
O5	-0.818	-0.805
Cl6	-0.756	1.796
H7	2.164	0.569
H8	2.156	-2.195
H9	-0.519	-2.861

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3604	2.2179	2.1722	1.3489	1.7054	2.1849	3.2728	3.1710
C2	1.3604		1.4330	2.2374	2.2424	2.8031	1.0837	2.2607	3.3131
C3	2.2179	1.4330		1.3597	2.2363	3.9100	2.2722	1.0850	2.2507
C4	2.1722	2.2374	1.3597		1.3641	3.7753	3.2934	2.1852	1.0830
O5	1.3489	2.2424	2.2363	1.3641		2.6024	3.2832	3.2822	2.0772
Cl6	1.7054	2.8031	3.9100	3.7753	2.6024		3.1669	4.9403	4.6632
H7	2.1849	1.0837	2.2722	3.2934	3.2832	3.1669		2.7643	4.3545
H8	3.2728	2.2607	1.0850	2.1852	3.2822	4.9403	2.7643		2.7560
H9	3.1710	3.3131	2.2507	1.0830	2.0772	4.6632	4.3545	2.7560

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.085	C1	C2	H7	126.375
C1	O5	C4	106.380	C2	C1	O5	111.716
C2	C1	Cl6	131.900	C2	C3	C4	106.452
C2	C3	H8	127.198	C3	C2	H7	128.540
C3	C4	O5	110.366	C3	C4	H9	133.943
C4	C3	H8	126.349	O5	C1	Cl6	116.384
O5	C4	H9	115.690

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

using model chemistry: HSEh1PBE/aug-cc-pVDZ

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	-0.285
2	C	1.067
3	C	0.883
4	C	0.139
5	O	-0.450
6	Cl	-0.200
7	H	-0.366
8	H	-0.403
9	H	-0.386

	x	y	z	Total
	1.218	-1.152	0.000	1.676
CHELPG
AIM
ESP

	x	y	z
x	9.597	-1.191	0.000
y	-1.191	12.062	0.000
z	0.000	0.000	6.229

<r²>	179.494
(<r²>)^1/2	13.398

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

using model chemistry: HSEh1PBE/aug-cc-pVDZ

States and conformations

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