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	hartrees
Energy at 0K	-687.560021
Energy at 298.15K	-687.564148
HF Energy	-687.560021
Nuclear repulsion energy	267.100793

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3464	3145	0.12
2	A'	3441	3125	0.78
3	A'	3419	3104	3.08
4	A'	1770	1607	33.85
5	A'	1674	1520	83.21
6	A'	1522	1382	17.24
7	A'	1343	1220	25.36
8	A'	1301	1182	39.11
9	A'	1225	1112	10.70
10	A'	1176	1067	30.98
11	A'	1080	981	28.71
12	A'	1013	920	34.87
13	A'	965	877	1.89
14	A'	528	479	5.62
15	A'	335	305	0.41
16	A"	996	904	0.39
17	A"	920	835	14.86
18	A"	843	765	62.87
19	A"	704	640	4.59
20	A"	655	595	10.77
21	A"	251	228	2.51

Atom	x (Å)	y (Å)
C1	0.000	0.258
C2	1.297	-0.079
C3	1.299	-1.523
C4	0.010	-1.894
O5	-0.797	-0.810
Cl6	-0.769	1.784
H7	2.137	0.593
H8	2.156	-2.176
H9	-0.484	-2.848

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3401	2.2047	2.1515	1.3319	1.7094	2.1630	3.2513	3.1430
C2	1.3401		1.4445	2.2249	2.2176	2.7823	1.0754	2.2663	3.2923
C3	2.2047	1.4445		1.3413	2.2140	3.9012	2.2762	1.0768	2.2214
C4	2.1515	2.2249	1.3413		1.3512	3.7597	3.2722	2.1640	1.0744
O5	1.3319	2.2176	2.2140	1.3512		2.5942	3.2516	3.2531	2.0617
Cl6	1.7094	2.7823	3.9012	3.7597	2.5942		3.1407	4.9235	4.6408
H7	2.1630	1.0754	2.2762	3.2722	3.2516	3.1407		2.7694	4.3253
H8	3.2513	2.2663	1.0768	2.1640	3.2531	4.9235	2.7694		2.7238
H9	3.1430	3.2923	2.2214	1.0744	2.0617	4.6408	4.3253	2.7238

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	104.634	C1	C2	H7	126.785
C1	O5	C4	106.614	C2	C1	O5	112.182
C2	C1	Cl6	131.289	C2	C3	C4	105.942
C2	C3	H8	127.411	C3	C2	H7	128.581
C3	C4	O5	110.628	C3	C4	H9	133.420
C4	C3	H8	126.647	O5	C1	Cl6	116.529
O5	C4	H9	115.952

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

using model chemistry: HF/cc-pVDZ

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	0.179
2	C	-0.029
3	C	-0.069
4	C	0.176
5	O	-0.304
6	Cl	-0.078
7	H	0.038
8	H	0.037
9	H	0.049

	x	y	z	Total
	1.377	-1.379	0.000	1.948
CHELPG
AIM
ESP

	x	y	z
x	7.880	-1.107	0.000
y	-1.107	9.480	0.000
z	0.000	0.000	3.412

<r²>	177.990
(<r²>)^1/2	13.341

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

using model chemistry: HF/cc-pVDZ

States and conformations

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