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	hartrees
Energy at 0K	-685.800671
Energy at 298.15K	-685.804456
HF Energy	-685.587399
Nuclear repulsion energy	262.008133

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3353	3353	0.24
2	A'	3328	3328	0.82
3	A'	3307	3307	1.09
4	A'	1583	1583	24.11
5	A'	1488	1488	43.36
6	A'	1393	1393	16.34
7	A'	1277	1277	4.92
8	A'	1178	1178	17.17
9	A'	1132	1132	34.15
10	A'	1042	1042	13.69
11	A'	1025	1025	13.51
12	A'	919	919	2.71
13	A'	901	901	27.40
14	A'	488	488	4.32
15	A'	303	303	0.39
16	A"	896	896	0.05
17	A"	851	851	23.24
18	A"	757	757	72.65
19	A"	636	636	1.37
20	A"	614	614	8.60
21	A"	227	227	2.94

Atom	x (Å)	y (Å)
C1	0.000	0.285
C2	1.303	-0.115
C3	1.284	-1.563
C4	-0.022	-1.953
O5	-0.863	-0.816
Cl6	-0.722	1.835
H7	2.165	0.526
H8	2.144	-2.209
H9	-0.528	-2.899

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3627	2.2501	2.2378	1.3989	1.7100	2.1780	3.2886	3.2269
C2	1.3627		1.4476	2.2651	2.2762	2.8110	1.0743	2.2563	3.3312
C3	2.2501	1.4476		1.3630	2.2733	3.9458	2.2666	1.0754	2.2511
C4	2.2378	2.2651	1.3630		1.4142	3.8522	3.3052	2.1807	1.0725
O5	1.3989	2.2762	2.2733	1.4142		2.6550	3.3117	3.3138	2.1093
Cl6	1.7100	2.8110	3.9458	3.8522	2.6550		3.1693	4.9563	4.7377
H7	2.1780	1.0743	2.2666	3.3052	3.3117	3.1693		2.7348	4.3561
H8	3.2886	2.2563	1.0754	2.1807	3.3138	4.9563	2.7348		2.7592
H9	3.2269	3.3312	2.2511	1.0725	2.1093	4.7377	4.3561	2.7592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	106.347	C1	C2	H7	126.281
C1	O5	C4	105.406	C2	C1	O5	111.017
C2	C1	Cl6	132.037	C2	C3	C4	107.362
C2	C3	H8	126.196	C3	C2	H7	127.372
C3	C4	O5	109.869	C3	C4	H9	134.778
C4	C3	H8	126.442	O5	C1	Cl6	116.946
O5	C4	H9	115.353

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

using model chemistry: B2PLYP=FULL/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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All results from a given calculation for C4H3ClO (Furan, 2-chloro)

using model chemistry: B2PLYP=FULL/3-21G*

States and conformations

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