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	hartrees
Energy at 0K	-687.324525
Energy at 298.15K	-687.328240
HF Energy	-687.324525
Nuclear repulsion energy	266.746777

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3222	3184	2.53
2	A'	3207	3170	4.54
3	A'	3189	3152	0.74
4	A'	1580	1562	25.79
5	A'	1497	1480	62.05
6	A'	1384	1368	13.14
7	A'	1221	1206	50.14
8	A'	1202	1188	20.45
9	A'	1151	1138	6.25
10	A'	1073	1061	8.71
11	A'	1002	991	29.65
12	A'	924	913	26.51
13	A'	882	872	0.41
14	A'	498	492	5.38
15	A'	311	307	0.61
16	A"	816	807	0.06
17	A"	762	753	22.12
18	A"	700	692	66.51
19	A"	625	618	7.83
20	A"	589	582	3.58
21	A"	219	216	2.54

Atom	x (Å)	y (Å)
C1	0.000	0.267
C2	1.302	-0.112
C3	1.279	-1.530
C4	-0.026	-1.896
O5	-0.820	-0.797
Cl6	-0.737	1.794
H7	2.165	0.548
H8	2.135	-2.199
H9	-0.543	-2.850

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3561	2.2056	2.1633	1.3431	1.6958	2.1832	3.2620	3.1640
C2	1.3561		1.4189	2.2245	2.2298	2.7912	1.0858	2.2475	3.3023
C3	2.2056	1.4189		1.3547	2.2227	3.8878	2.2589	1.0869	2.2497
C4	2.1633	2.2245	1.3547		1.3559	3.7583	3.2820	2.1823	1.0852
O5	1.3431	2.2298	2.2227	1.3559		2.5925	3.2736	3.2708	2.0715
Cl6	1.6958	2.7912	3.8878	3.7583	2.5925		3.1587	4.9190	4.6482
H7	2.1832	1.0858	2.2589	3.2820	3.2736	3.1587		2.7465	4.3449
H8	3.2620	2.2475	1.0869	2.1823	3.2708	4.9190	2.7465		2.7567
H9	3.1640	3.3023	2.2497	1.0852	2.0715	4.6482	4.3449	2.7567

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.256	C1	C2	H7	126.422
C1	O5	C4	106.548	C2	C1	O5	111.402
C2	C1	Cl6	131.972	C2	C3	C4	106.625
C2	C3	H8	127.016	C3	C2	H7	128.322
C3	C4	O5	110.169	C3	C4	H9	134.159
C4	C3	H8	126.359	O5	C1	Cl6	116.626
O5	C4	H9	115.673

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

using model chemistry: LSDA/TZVP

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	-0.093
2	C	-0.090
3	C	-0.189
4	C	-0.106
5	O	-0.074
6	Cl	-0.001
7	H	0.193
8	H	0.179
9	H	0.181

	x	y	z	Total
	1.148	-1.055	0.000	1.559
CHELPG
AIM
ESP

	x	y	z
x	8.733	-1.179	0.000
y	-1.179	11.195	0.000
z	0.000	0.000	5.024

<r²>	178.078
(<r²>)^1/2	13.345

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

using model chemistry: LSDA/TZVP

States and conformations

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