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	hartrees
Energy at 0K	-685.997128
Energy at 298.15K	-686.000895
HF Energy	-685.997128
Nuclear repulsion energy	260.635924

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3346	3216	0.64
2	A'	3328	3199	1.86
3	A'	3300	3172	0.85
4	A'	1600	1538	28.73
5	A'	1499	1441	41.40
6	A'	1390	1336	20.62
7	A'	1269	1220	9.79
8	A'	1180	1134	32.65
9	A'	1137	1093	16.71
10	A'	1047	1007	17.26
11	A'	1031	991	15.46
12	A'	920	884	13.59
13	A'	903	868	23.96
14	A'	459	441	6.43
15	A'	277	266	0.16
16	A"	929	892	1.51
17	A"	874	840	24.12
18	A"	764	735	82.97
19	A"	641	616	0.38
20	A"	619	595	9.18
21	A"	227	218	2.96

Atom	x (Å)	y (Å)
C1	0.000	0.255
C2	1.309	-0.098
C3	1.325	-1.542
C4	0.030	-1.960
O5	-0.830	-0.848
Cl6	-0.779	1.846
H7	2.153	0.570
H8	2.201	-2.169
H9	-0.453	-2.920

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3561	2.2330	2.2159	1.3808	1.7710	2.1755	3.2744	3.2075
C2	1.3561		1.4442	2.2598	2.2669	2.8530	1.0755	2.2547	3.3274
C3	2.2330	1.4442		1.3614	2.2639	3.9881	2.2679	1.0772	2.2499
C4	2.2159	2.2598	1.3614		1.4055	3.8911	3.3027	2.1817	1.0743
O5	1.3808	2.2669	2.2639	1.4055		2.6944	3.3023	3.3062	2.1056
Cl6	1.7710	2.8530	3.9881	3.8911	2.6944		3.1976	4.9999	4.7767
H7	2.1755	1.0755	2.2679	3.3027	3.3023	3.1976		2.7387	4.3553
H8	3.2744	2.2547	1.0772	2.1817	3.3062	4.9999	2.7387		2.7590
H9	3.2075	3.3274	2.2499	1.0743	2.1056	4.7767	4.3553	2.7590

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.724	C1	C2	H7	126.545
C1	O5	C4	105.364	C2	C1	O5	111.844
C2	C1	Cl6	131.201	C2	C3	C4	107.271
C2	C3	H8	126.202	C3	C2	H7	127.731
C3	C4	O5	109.797	C3	C4	H9	134.623
C4	C3	H8	126.527	O5	C1	Cl6	116.956
O5	C4	H9	115.580

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

using model chemistry: B3PW91/3-21G

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	0.006
2	C	-0.255
3	C	-0.273
4	C	0.046
5	O	-0.465
6	Cl	0.204
7	H	0.242
8	H	0.233
9	H	0.260

	x	y	z	Total
	1.676	-1.547	0.000	2.281
CHELPG
AIM
ESP

	x	y	z
x	7.201	-1.312	0.000
y	-1.312	9.683	0.000
z	0.000	0.000	2.230

<r²>	185.984
(<r²>)^1/2	13.638

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

using model chemistry: B3PW91/3-21G

States and conformations

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