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	hartrees
Energy at 0K	-689.345860
Energy at 298.15K	-689.349729
HF Energy	-689.345860
Nuclear repulsion energy	266.711380

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3304	3175	0.10
2	A'	3289	3161	0.81
3	A'	3268	3141	1.73
4	A'	1622	1559	22.90
5	A'	1531	1471	61.01
6	A'	1419	1364	14.89
7	A'	1254	1205	16.48
8	A'	1223	1175	43.61
9	A'	1165	1119	5.69
10	A'	1102	1059	13.70
11	A'	1032	992	25.32
12	A'	944	907	27.84
13	A'	902	866	1.70
14	A'	504	484	4.85
15	A'	316	304	0.46
16	A"	892	857	0.12
17	A"	820	789	19.92
18	A"	747	718	60.75
19	A"	648	623	3.48
20	A"	621	597	6.98
21	A"	231	222	1.94

Atom	x (Å)	y (Å)
C1	0.000	0.267
C2	1.301	-0.105
C3	1.282	-1.532
C4	-0.019	-1.898
O5	-0.820	-0.800
Cl6	-0.741	1.793
H7	2.153	0.552
H8	2.133	-2.193
H9	-0.526	-2.846

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3530	2.2087	2.1642	1.3448	1.6970	2.1720	3.2555	3.1565
C2	1.3530		1.4272	2.2262	2.2316	2.7877	1.0759	2.2479	3.2944
C3	2.2087	1.4272		1.3514	2.2258	3.8922	2.2586	1.0772	2.2356
C4	2.1642	2.2262	1.3514		1.3591	3.7610	3.2739	2.1714	1.0755
O5	1.3448	2.2316	2.2258	1.3591		2.5943	3.2657	3.2646	2.0670
Cl6	1.6970	2.7877	3.8922	3.7610	2.5943		3.1488	4.9141	4.6441
H7	2.1720	1.0759	2.2586	3.2739	3.2657	3.1488		2.7455	4.3274
H8	3.2555	2.2479	1.0772	2.1714	3.2646	4.9141	2.7455		2.7379
H9	3.1565	3.2944	2.2356	1.0755	2.0670	4.6441	4.3274	2.7379

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.172	C1	C2	H7	126.445
C1	O5	C4	106.338	C2	C1	O5	111.626
C2	C1	Cl6	131.801	C2	C3	C4	106.460
C2	C3	H8	127.126	C3	C2	H7	128.383
C3	C4	O5	110.404	C3	C4	H9	133.881
C4	C3	H8	126.414	O5	C1	Cl6	116.573
O5	C4	H9	115.715

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

using model chemistry: HSEh1PBE/cc-pVTZ

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	0.134
2	C	-0.163
3	C	-0.158
4	C	-0.031
5	O	-0.118
6	Cl	-0.073
7	H	0.140
8	H	0.131
9	H	0.139

	x	y	z	Total
	1.118	-1.136	0.000	1.594
CHELPG
AIM
ESP

	x	y	z
x	8.728	-1.200	0.000
y	-1.200	11.173	0.000
z	0.000	0.000	4.842

<r²>	177.875
(<r²>)^1/2	13.337

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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