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	hartrees
Energy at 0K	-689.229042
Energy at 298.15K	-689.232704
HF Energy	-689.229042
Nuclear repulsion energy	263.982499

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3223	3193	0.04
2	A'	3207	3178	0.38
3	A'	3185	3156	2.02
4	A'	1555	1541	21.74
5	A'	1469	1456	58.24
6	A'	1364	1351	14.68
7	A'	1200	1189	4.25
8	A'	1163	1152	59.82
9	A'	1118	1108	6.41
10	A'	1050	1041	17.92
11	A'	999	990	24.81
12	A'	905	897	28.30
13	A'	870	862	0.98
14	A'	482	478	5.97
15	A'	307	304	0.53
16	A"	831	824	0.01
17	A"	763	756	26.23
18	A"	696	690	54.63
19	A"	604	599	6.49
20	A"	593	588	3.27
21	A"	214	212	2.10

Atom	x (Å)	y (Å)
C1	0.000	0.268
C2	1.317	-0.102
C3	1.304	-1.537
C4	-0.008	-1.917
O5	-0.829	-0.812
Cl6	-0.757	1.808
H7	2.174	0.563
H8	2.167	-2.197
H9	-0.522	-2.872

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3676	2.2268	2.1850	1.3615	1.7153	2.1938	3.2821	3.1828
C2	1.3676		1.4350	2.2468	2.2598	2.8186	1.0850	2.2610	3.3241
C3	2.2268	1.4350		1.3659	2.2526	3.9283	2.2728	1.0864	2.2615
C4	2.1850	2.2468	1.3659		1.3763	3.7989	3.3029	2.1928	1.0842
O5	1.3615	2.2598	2.2526	1.3763		2.6206	3.3025	3.3003	2.0824
Cl6	1.7153	2.8186	3.9283	3.7989	2.6206		3.1840	4.9582	4.6851
H7	2.1938	1.0850	2.2728	3.3029	3.3025	3.1840		2.7598	4.3660
H8	3.2821	2.2610	1.0864	2.1928	3.3003	4.9582	2.7598		2.7718
H9	3.1828	3.3241	2.2615	1.0842	2.0824	4.6851	4.3660	2.7718

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.203	C1	C2	H7	126.508
C1	O5	C4	105.889	C2	C1	O5	111.796
C2	C1	Cl6	131.880	C2	C3	C4	106.650
C2	C3	H8	126.917	C3	C2	H7	128.289
C3	C4	O5	110.462	C3	C4	H9	134.425
C4	C3	H8	126.433	O5	C1	Cl6	116.324
O5	C4	H9	115.113

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

using model chemistry: PBEPBE/6-311G**

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	0.068
2	C	-0.088
3	C	-0.156
4	C	0.046
5	O	-0.186
6	Cl	-0.031
7	H	0.115
8	H	0.109
9	H	0.123

	x	y	z	Total
	1.189	-1.178	0.000	1.673
CHELPG
AIM
ESP

	x	y	z
x	8.356	-1.411	0.000
y	-1.411	11.146	0.000
z	0.000	0.000	3.832

<r²>	181.187
(<r²>)^1/2	13.461

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

using model chemistry: PBEPBE/6-311G**

States and conformations

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