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	hartrees
Energy at 0K	-686.165556
Energy at 298.15K	-686.169449
HF Energy	-686.165556
Nuclear repulsion energy	263.537806

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3361	3186	0.87
2	A'	3340	3166	2.40
3	A'	3319	3146	0.93
4	A'	1620	1535	31.08
5	A'	1522	1443	43.62
6	A'	1409	1335	15.58
7	A'	1280	1214	7.69
8	A'	1197	1135	35.91
9	A'	1160	1099	12.74
10	A'	1073	1017	12.24
11	A'	1042	987	14.25
12	A'	937	888	15.66
13	A'	921	873	17.62
14	A'	500	474	4.39
15	A'	307	291	0.50
16	A"	957	907	0.68
17	A"	896	849	22.87
18	A"	786	745	85.67
19	A"	662	627	0.71
20	A"	626	594	10.55
21	A"	236	224	3.50

Atom	x (Å)	y (Å)
C1	0.000	0.280
C2	1.296	-0.122
C3	1.268	-1.564
C4	-0.037	-1.938
O5	-0.855	-0.806
Cl6	-0.709	1.830
H7	2.161	0.515
H8	2.122	-2.218
H9	-0.548	-2.882

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3566	2.2380	2.2184	1.3824	1.7046	2.1742	3.2778	3.2088
C2	1.3566		1.4427	2.2528	2.2571	2.7981	1.0747	2.2533	3.3193
C3	2.2380	1.4427		1.3572	2.2543	3.9281	2.2632	1.0757	2.2437
C4	2.2184	2.2528	1.3572		1.3967	3.8277	3.2940	2.1770	1.0732
O5	1.3824	2.2571	2.2543	1.3967		2.6403	3.2932	3.2950	2.0979
Cl6	1.7046	2.7981	3.9281	3.8277	2.6403		3.1574	4.9400	4.7143
H7	2.1742	1.0747	2.2632	3.2940	3.2932	3.1574		2.7336	4.3452
H8	3.2778	2.2533	1.0757	2.1770	3.2950	4.9400	2.7336		2.7516
H9	3.2088	3.3193	2.2437	1.0732	2.0979	4.7143	4.3452	2.7516

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	106.120	C1	C2	H7	126.429
C1	O5	C4	105.926	C2	C1	O5	110.984
C2	C1	Cl6	131.812	C2	C3	C4	107.098
C2	C3	H8	126.330	C3	C2	H7	127.451
C3	C4	O5	109.873	C3	C4	H9	134.460
C4	C3	H8	126.573	O5	C1	Cl6	117.204
O5	C4	H9	115.667

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

using model chemistry: wB97X-D/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	0.136
2	C	-0.268
3	C	-0.283
4	C	0.053
5	O	-0.490
6	Cl	0.104
7	H	0.246
8	H	0.237
9	H	0.264

	x	y	z	Total
	1.495	-1.301	0.000	1.982
CHELPG
AIM
ESP

	x	y	z
x	7.264	-1.118	0.000
y	-1.118	9.545	0.000
z	0.000	0.000	2.488

<r²>	181.434
(<r²>)^1/2	13.470

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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