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	hartrees
Energy at 0K	-686.269616
Energy at 298.15K	-686.273374
HF Energy	-686.269616
Nuclear repulsion energy	261.966425

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3333	3218	0.06
2	A'	3306	3193	0.23
3	A'	3281	3169	1.89
4	A'	1575	1521	26.11
5	A'	1479	1428	45.79
6	A'	1382	1335	15.65
7	A'	1261	1218	3.49
8	A'	1165	1125	16.91
9	A'	1125	1086	31.86
10	A'	1034	998	16.24
11	A'	1019	984	15.21
12	A'	906	875	4.36
13	A'	888	857	24.92
14	A'	488	471	5.07
15	A'	297	287	0.48
16	A"	906	875	0.28
17	A"	851	822	25.37
18	A"	753	727	79.79
19	A"	626	605	0.35
20	A"	607	586	7.66
21	A"	229	221	3.31

Atom	x (Å)	y (Å)
C1	0.000	0.286
C2	1.306	-0.110
C3	1.291	-1.557
C4	-0.015	-1.952
O5	-0.861	-0.818
Cl6	-0.730	1.830
H7	2.168	0.535
H8	2.155	-2.201
H9	-0.521	-2.899

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3653	2.2503	2.2380	1.4007	1.7075	2.1820	3.2913	3.2280
C2	1.3653		1.4462	2.2662	2.2804	2.8127	1.0764	2.2566	3.3343
C3	2.2503	1.4462		1.3647	2.2758	3.9438	2.2677	1.0778	2.2556
C4	2.2380	2.2662	1.3647		1.4145	3.8485	3.3087	2.1842	1.0744
O5	1.4007	2.2804	2.2758	1.4145		2.6514	3.3177	3.3183	2.1087
Cl6	1.7075	2.8127	3.9438	3.8485	2.6514		3.1739	4.9572	4.7338
H7	2.1820	1.0764	2.2677	3.3087	3.3177	3.1739		2.7364	4.3617
H8	3.2913	2.2566	1.0778	2.1842	3.3183	4.9572	2.7364		2.7655
H9	3.2280	3.3343	2.2556	1.0744	2.1087	4.7338	4.3617	2.7655

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	106.297	C1	C2	H7	126.265
C1	O5	C4	105.301	C2	C1	O5	111.053
C2	C1	Cl6	132.202	C2	C3	C4	107.421
C2	C3	H8	126.155	C3	C2	H7	127.437
C3	C4	O5	109.927	C3	C4	H9	134.931
C4	C3	H8	126.424	O5	C1	Cl6	116.745
O5	C4	H9	115.141

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

using model chemistry: TPSSh/3-21G*

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	-0.247
3	C	-0.267
4	C	0.047
5	O	-0.461
6	Cl	0.111
7	H	0.233
8	H	0.225
9	H	0.253

	x	y	z	Total
	1.453	-1.206	0.000	1.888
CHELPG
AIM
ESP

	x	y	z
x	7.469	-1.228	0.000
y	-1.228	10.011	0.000
z	0.000	0.000	2.515

<r²>	183.109
(<r²>)^1/2	13.532

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

using model chemistry: TPSSh/3-21G*

States and conformations

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