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	hartrees
Energy at 0K	-686.009911
Energy at 298.15K	-686.013746
HF Energy	-686.009911
Nuclear repulsion energy	261.020026

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3360	3222	3.57
2	A'	3335	3197	0.26
3	A'	3302	3165	3.59
4	A'	1633	1565	32.30
5	A'	1524	1461	41.78
6	A'	1400	1342	19.80
7	A'	1283	1230	13.29
8	A'	1199	1149	34.88
9	A'	1150	1102	11.64
10	A'	1075	1030	16.74
11	A'	1035	993	11.48
12	A'	932	894	23.79
13	A'	915	877	18.54
14	A'	471	452	5.03
15	A'	273	262	0.15
16	A"	978	938	0.22
17	A"	917	879	27.45
18	A"	800	767	75.20
19	A"	659	632	0.75
20	A"	625	599	12.27
21	A"	226	217	2.98

Atom	x (Å)	y (Å)
C1	0.000	0.256
C2	1.307	-0.090
C3	1.327	-1.540
C4	0.035	-1.958
O5	-0.823	-0.849
Cl6	-0.784	1.840
H7	2.146	0.580
H8	2.203	-2.165
H9	-0.447	-2.917

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3519	2.2336	2.2146	1.3776	1.7678	2.1699	3.2734	3.2041
C2	1.3519		1.4500	2.2598	2.2604	2.8462	1.0741	2.2597	3.3259
C3	2.2336	1.4500		1.3585	2.2583	3.9860	2.2731	1.0759	2.2452
C4	2.2146	2.2598	1.3585		1.4019	3.8859	3.3016	2.1786	1.0725
O5	1.3776	2.2604	2.2583	1.4019		2.6896	3.2944	3.2997	2.1017
Cl6	1.7678	2.8462	3.9860	3.8859	2.6896		3.1893	4.9967	4.7691
H7	2.1699	1.0741	2.2731	3.3016	3.2944	3.1893		2.7457	4.3531
H8	3.2734	2.2597	1.0759	2.1786	3.2997	4.9967	2.7457		2.7548
H9	3.2041	3.3259	2.2452	1.0725	2.1017	4.7691	4.3531	2.7548

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.668	C1	C2	H7	126.489
C1	O5	C4	105.640	C2	C1	O5	111.808
C2	C1	Cl6	131.194	C2	C3	C4	107.104
C2	C3	H8	126.281	C3	C2	H7	127.843
C3	C4	O5	109.780	C3	C4	H9	134.579
C4	C3	H8	126.614	O5	C1	Cl6	116.998
O5	C4	H9	115.641

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

using model chemistry: M06-2X/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	0.009
2	C	-0.247
3	C	-0.269
4	C	0.067
5	O	-0.494
6	Cl	0.208
7	H	0.240
8	H	0.230
9	H	0.256

	x	y	z	Total
	1.766	-1.586	0.000	2.374
CHELPG
AIM
ESP

	x	y	z
x	7.172	-1.302	0.000
y	-1.302	9.437	0.000
z	0.000	0.000	2.194

<r²>	185.745
(<r²>)^1/2	13.629

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

using model chemistry: M06-2X/3-21G

States and conformations

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