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	hartrees
Energy at 0K	-242.657503
Energy at 298.15K	-242.661562
HF Energy	-242.657503
Nuclear repulsion energy	197.617678

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3540	3185	0.58
2	A'	3502	3151	0.22
3	A'	3484	3135	4.65
4	A'	1749	1574	28.55
5	A'	1647	1483	83.17
6	A'	1507	1356	10.29
7	A'	1363	1227	19.93
8	A'	1282	1154	46.15
9	A'	1213	1092	21.80
10	A'	1132	1019	24.75
11	A'	1101	991	35.75
12	A'	996	896	45.99
13	A'	976	879	7.84
14	A'	499	449	5.01
15	A'	319	287	0.33
16	A"	1042	938	0.13
17	A"	973	875	20.55
18	A"	867	780	106.83
19	A"	690	621	0.76
20	A"	656	590	15.48
21	A"	243	218	4.46

Atom	x (Å)	y (Å)
C1	0.000	0.263
C2	1.304	-0.074
C3	1.331	-1.526
C4	0.045	-1.943
O5	-0.795	-0.844
Cl6	-0.802	1.817
H7	2.136	0.591
H8	2.200	-2.144
H9	-0.425	-2.896

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3466	2.2307	2.2069	1.3636	1.7481	2.1608	3.2609	3.1878
C2	1.3466		1.4529	2.2535	2.2360	2.8297	1.0647	2.2558	3.3097
C3	2.2307	1.4529		1.3520	2.2334	3.9657	2.2646	1.0655	2.2274
C4	2.2069	2.2535	1.3520		1.3834	3.8540	3.2848	2.1637	1.0626
O5	1.3636	2.2360	2.2334	1.3834		2.6610	3.2635	3.2647	2.0848
Cl6	1.7481	2.8297	3.9657	3.8540	2.6610		3.1833	4.9695	4.7277
H7	2.1608	1.0647	2.2646	3.2848	3.2635	3.1833		2.7353	4.3260
H8	3.2609	2.2558	1.0655	2.1637	3.2647	4.9695	2.7353		2.7303
H9	3.1878	3.3097	2.2274	1.0626	2.0848	4.7277	4.3260	2.7303

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.589	C1	C2	H7	126.904
C1	O5	C4	106.909	C2	C1	O5	111.180
C2	C1	Cl6	131.800	C2	C3	C4	106.862
C2	C3	H8	126.523	C3	C2	H7	127.507
C3	C4	O5	109.461	C3	C4	H9	134.228
C4	C3	H8	126.616	O5	C1	Cl6	117.019
O5	C4	H9	116.311

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

using model chemistry: HF/LANL2DZ

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	0.113
2	C	-0.191
3	C	-0.237
4	C	-0.011
5	O	-0.397
6	Cl	-0.021
7	H	0.250
8	H	0.239
9	H	0.254

	x	y	z	Total
	2.324	-1.836	0.000	2.961
CHELPG
AIM
ESP

	x	y	z
x	7.459	-1.169	0.000
y	-1.169	8.892	0.000
z	0.000	0.000	2.877

<r²>	144.144
(<r²>)^1/2	12.006

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

using model chemistry: HF/LANL2DZ

States and conformations

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