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	hartrees
Energy at 0K	-689.453094
Energy at 298.15K	-689.456885
HF Energy	-689.453094
Nuclear repulsion energy	260.888969

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3382	3382	0.13
2	A'	3349	3349	0.40
3	A'	3326	3326	2.71
4	A'	1626	1626	23.56
5	A'	1535	1535	60.45
6	A'	1410	1410	11.42
7	A'	1265	1265	21.22
8	A'	1209	1209	53.39
9	A'	1152	1152	7.30
10	A'	1077	1077	9.13
11	A'	1034	1034	34.74
12	A'	927	927	31.08
13	A'	906	906	4.51
14	A'	476	476	4.57
15	A'	298	298	0.41
16	A"	940	940	0.05
17	A"	873	873	30.54
18	A"	773	773	99.96
19	A"	635	635	0.00
20	A"	616	616	10.88
21	A"	221	221	3.70

Atom	x (Å)	y (Å)
C1	0.000	0.264
C2	1.320	-0.086
C3	1.341	-1.534
C4	0.037	-1.953
O5	-0.813	-0.848
Cl6	-0.801	1.831
H7	2.163	0.585
H8	2.215	-2.164
H9	-0.445	-2.914

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3656	2.2422	2.2168	1.3772	1.7603	2.1864	3.2858	3.2086
C2	1.3656		1.4483	2.2657	2.2654	2.8589	1.0767	2.2623	3.3341
C3	2.2422	1.4483		1.3692	2.2602	3.9885	2.2725	1.0775	2.2569
C4	2.2168	2.2657	1.3692		1.3942	3.8758	3.3104	2.1878	1.0753
O5	1.3772	2.2654	2.2602	1.3942		2.6792	3.3027	3.3013	2.0986
Cl6	1.7603	2.8589	3.9885	3.8758	2.6792		3.2149	5.0052	4.7585
H7	2.1864	1.0767	2.2725	3.3104	3.3027	3.2149		2.7489	4.3638
H8	3.2858	2.2623	1.0775	2.1878	3.3013	5.0052	2.7489		2.7637
H9	3.2086	3.3341	2.2569	1.0753	2.0986	4.7585	4.3638	2.7637

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.621	C1	C2	H7	126.666
C1	O5	C4	106.239	C2	C1	O5	111.369
C2	C1	Cl6	131.878	C2	C3	C4	107.024
C2	C3	H8	126.573	C3	C2	H7	127.714
C3	C4	O5	109.747	C3	C4	H9	134.473
C4	C3	H8	126.403	O5	C1	Cl6	116.753
O5	C4	H9	115.780

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

using model chemistry: wB97X-D/SDD

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	0.008
2	C	-0.214
3	C	-0.244
4	C	-0.107
5	O	-0.233
6	Cl	0.008
7	H	0.265
8	H	0.253
9	H	0.263

	x	y	z	Total
	1.956	-1.574	0.000	2.511
CHELPG
AIM
ESP

	x	y	z
x	7.585	-1.183	0.000
y	-1.183	9.546	0.000
z	0.000	0.000	3.102

<r²>	185.683
(<r²>)^1/2	13.627

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

using model chemistry: wB97X-D/SDD

States and conformations

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