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	hartrees
Energy at 0K	-689.693736
Energy at 298.15K	-689.697501
HF Energy	-689.693736
Nuclear repulsion energy	264.886740

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3288	3177	0.35
2	A'	3266	3156	0.39
3	A'	3246	3136	3.61
4	A'	1605	1551	21.25
5	A'	1509	1459	60.98
6	A'	1407	1360	17.27
7	A'	1250	1208	6.38
8	A'	1195	1155	52.23
9	A'	1140	1101	11.65
10	A'	1083	1047	21.50
11	A'	1029	994	23.04
12	A'	936	904	31.54
13	A'	902	872	1.88
14	A'	488	472	6.16
15	A'	313	302	0.56
16	A"	862	833	0.00
17	A"	796	769	26.58
18	A"	727	702	57.89
19	A"	629	608	5.13
20	A"	612	591	6.43
21	A"	221	213	2.30

Atom	x (Å)	y (Å)
C1	0.000	0.264
C2	1.308	-0.099
C3	1.301	-1.534
C4	-0.002	-1.913
O5	-0.818	-0.814
Cl6	-0.759	1.805
H7	2.159	0.563
H8	2.160	-2.187
H9	-0.510	-2.862

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3574	2.2190	2.1766	1.3531	1.7177	2.1795	3.2670	3.1673
C2	1.3574		1.4348	2.2370	2.2432	2.8102	1.0782	2.2553	3.3075
C3	2.2190	1.4348		1.3564	2.2381	3.9229	2.2657	1.0795	2.2456
C4	2.1766	2.2370	1.3564		1.3693	3.7938	3.2859	2.1791	1.0769
O5	1.3531	2.2432	2.2381	1.3693		2.6190	3.2801	3.2799	2.0715
Cl6	1.7177	2.8102	3.9229	3.7938	2.6190		3.1712	4.9454	4.6735
H7	2.1795	1.0782	2.2657	3.2859	3.2801	3.1712		2.7502	4.3422
H8	3.2670	2.2553	1.0795	2.1791	3.2799	4.9454	2.7502		2.7540
H9	3.1673	3.3075	2.2456	1.0769	2.0715	4.6735	4.3422	2.7540

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.220	C1	C2	H7	126.604
C1	O5	C4	106.168	C2	C1	O5	111.707
C2	C1	Cl6	131.737	C2	C3	C4	106.506
C2	C3	H8	126.954	C3	C2	H7	128.175
C3	C4	O5	110.398	C3	C4	H9	134.381
C4	C3	H8	126.539	O5	C1	Cl6	116.556
O5	C4	H9	115.220

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

using model chemistry: B3LYPultrafine/6-311G*

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	0.103
2	C	-0.202
3	C	-0.248
4	C	-0.045
5	O	-0.218
6	Cl	-0.045
7	H	0.221
8	H	0.209
9	H	0.224

	x	y	z	Total
	1.331	-1.288	0.000	1.852
CHELPG
AIM
ESP

	x	y	z
x	8.135	-1.364	0.000
y	-1.364	10.665	0.000
z	0.000	0.000	3.716

<r²>	180.456
(<r²>)^1/2	13.433

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

using model chemistry: B3LYPultrafine/6-311G*

States and conformations

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