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	hartrees
Energy at 0K	-689.736206
Energy at 298.15K	-689.740025
HF Energy	-689.736206
Nuclear repulsion energy	265.414316

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3287	3177	0.06
2	A'	3269	3160	0.38
3	A'	3248	3140	2.14
4	A'	1601	1548	19.21
5	A'	1506	1455	60.34
6	A'	1403	1356	15.79
7	A'	1249	1208	5.79
8	A'	1193	1153	44.85
9	A'	1138	1100	10.36
10	A'	1082	1045	18.84
11	A'	1026	991	23.01
12	A'	934	903	28.59
13	A'	900	870	2.31
14	A'	490	473	5.52
15	A'	312	302	0.48
16	A"	886	857	0.09
17	A"	816	789	20.90
18	A"	738	713	56.98
19	A"	638	617	3.21
20	A"	616	595	6.98
21	A"	226	218	1.89

Atom	x (Å)	y (Å)
C1	0.000	0.267
C2	1.305	-0.097
C3	1.299	-1.529
C4	0.000	-1.911
O5	-0.816	-0.812
Cl6	-0.759	1.800
H7	2.153	0.563
H8	2.155	-2.181
H9	-0.500	-2.861

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3548	2.2162	2.1773	1.3528	1.7109	2.1729	3.2609	3.1675
C2	1.3548		1.4320	2.2339	2.2385	2.8035	1.0747	2.2500	3.3009
C3	2.2162	1.4320		1.3532	2.2333	3.9138	2.2603	1.0761	2.2378
C4	2.1773	2.2339	1.3532		1.3689	3.7876	3.2793	2.1719	1.0740
O5	1.3528	2.2385	2.2333	1.3689		2.6127	3.2721	3.2716	2.0735
Cl6	1.7109	2.8035	3.9138	3.7876	2.6127		3.1632	4.9332	4.6685
H7	2.1729	1.0747	2.2603	3.2793	3.2721	3.1632		2.7440	4.3316
H8	3.2609	2.2500	1.0761	2.1719	3.2716	4.9332	2.7440		2.7408
H9	3.1675	3.3009	2.2378	1.0740	2.0735	4.6685	4.3316	2.7408

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.328	C1	C2	H7	126.473
C1	O5	C4	106.257	C2	C1	O5	111.534
C2	C1	Cl6	131.915	C2	C3	C4	106.626
C2	C3	H8	126.983	C3	C2	H7	128.198
C3	C4	O5	110.254	C3	C4	H9	134.111
C4	C3	H8	126.391	O5	C1	Cl6	116.551
O5	C4	H9	115.635

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

using model chemistry: B3LYP/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	0.141
2	C	-0.156
3	C	-0.141
4	C	-0.023
5	O	-0.143
6	Cl	-0.072
7	H	0.136
8	H	0.125
9	H	0.134

	x	y	z	Total
	1.181	-1.145	0.000	1.645
CHELPG
AIM
ESP

	x	y	z
x	8.824	-1.247	0.000
y	-1.247	11.285	0.000
z	0.000	0.000	4.840

<r²>	179.715
(<r²>)^1/2	13.406

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

using model chemistry: B3LYP/cc-pVTZ

States and conformations

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