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	hartrees
Energy at 0K	-55.279302
Energy at 298.15K	-55.283077
HF Energy	-55.279302
Nuclear repulsion energy	108.995934

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3315	3315	1.90
2	A'	3300	3300	0.78
3	A'	3277	3277	3.21
4	A'	1631	1631	21.04
5	A'	1547	1547	69.32
6	A'	1428	1428	14.89
7	A'	1252	1252	42.74
8	A'	1234	1234	32.25
9	A'	1165	1165	8.51
10	A'	1097	1097	9.91
11	A'	1024	1024	32.18
12	A'	927	927	33.31
13	A'	880	880	1.18
14	A'	493	493	6.29
15	A'	308	308	0.43
16	A"	916	916	0.03
17	A"	857	857	41.60
18	A"	755	755	80.90
19	A"	624	624	2.88
20	A"	601	601	4.66
21	A"	222	222	2.78

Atom	x (Å)	y (Å)
C1	0.000	0.266
C2	1.329	-0.114
C3	1.296	-1.566
C4	-0.039	-1.919
O5	-0.834	-0.802
Cl6	-0.741	1.822
H7	2.189	0.548
H8	2.143	-2.246
H9	-0.568	-2.867

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3820	2.2437	2.1858	1.3552	1.7239	2.2073	3.3018	3.1840
C2	1.3820		1.4524	2.2654	2.2698	2.8344	1.0853	2.2822	3.3435
C3	2.2437	1.4524		1.3809	2.2625	3.9533	2.2946	1.0865	2.2731
C4	2.1858	2.2654	1.3809		1.3713	3.8072	3.3246	2.2066	1.0851
O5	1.3552	2.2698	2.2625	1.3713		2.6261	3.3110	3.3088	2.0819
Cl6	1.7239	2.8344	3.9533	3.8072	2.6261		3.1958	4.9869	4.6925
H7	2.2073	1.0853	2.2946	3.3246	3.3110	3.1958		2.7938	4.3890
H8	3.3018	2.2822	1.0865	2.2066	3.3088	4.9869	2.7938		2.7816
H9	3.1840	3.3435	2.2731	1.0851	2.0819	4.6925	4.3890	2.7816

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	104.642	C1	C2	H7	126.503
C1	O5	C4	106.585	C2	C1	O5	112.038
C2	C1	Cl6	131.418	C2	C3	C4	106.148
C2	C3	H8	127.435	C3	C2	H7	128.855
C3	C4	O5	110.587	C3	C4	H9	134.020
C4	C3	H8	126.417	O5	C1	Cl6	116.544
O5	C4	H9	115.393

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

using model chemistry: wB97X-D/CEP-31G*

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	-0.315
2	C	-0.048
3	C	-0.269
4	C	-0.330
5	O	0.037
6	Cl	-0.037
7	H	0.346
8	H	0.324
9	H	0.292

	x	y	z	Total
	1.319	-1.343	0.000	1.883
CHELPG
AIM
ESP

	x	y	z
x	8.232	-1.220	0.000
y	-1.220	10.461	0.000
z	0.000	0.000	3.814

<r²>	120.923
(<r²>)^1/2	10.996

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

using model chemistry: wB97X-D/CEP-31G*

States and conformations

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