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	hartrees
Energy at 0K	-689.577034
Energy at 298.15K	-689.580625
HF Energy	-689.577034
Nuclear repulsion energy	261.583470

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3217	3211	0.17
2	A'	3198	3192	0.22
3	A'	3174	3168	2.23
4	A'	1531	1528	14.46
5	A'	1446	1443	61.04
6	A'	1344	1341	13.34
7	A'	1194	1191	2.19
8	A'	1130	1128	42.05
9	A'	1084	1082	13.83
10	A'	1020	1018	21.26
11	A'	984	982	25.64
12	A'	890	888	24.87
13	A'	863	862	1.66
14	A'	467	466	6.14
15	A'	297	296	0.67
16	A"	815	813	0.15
17	A"	754	753	25.04
18	A"	683	682	55.76
19	A"	592	591	0.06
20	A"	588	587	10.07
21	A"	209	209	1.80

Atom	x (Å)	y (Å)
C1	0.000	0.271
C2	1.328	-0.089
C3	1.333	-1.535
C4	0.019	-1.938
O5	-0.823	-0.830
Cl6	-0.788	1.817
H7	2.182	0.588
H8	2.209	-2.187
H9	-0.483	-2.905

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3757	2.2450	2.2092	1.3751	1.7356	2.2051	3.3050	3.2122
C2	1.3757		1.4461	2.2651	2.2750	2.8483	1.0904	2.2755	3.3475
C3	2.2450	1.4461		1.3743	2.2685	3.9675	2.2869	1.0920	2.2746
C4	2.2092	2.2651	1.3743		1.3914	3.8412	3.3257	2.2043	1.0893
O5	1.3751	2.2750	2.2685	1.3914		2.6480	3.3233	3.3220	2.1018
Cl6	1.7356	2.8483	3.9675	3.8412	2.6480		3.2148	5.0021	4.7318
H7	2.2051	1.0904	2.2869	3.3257	3.3233	3.2148		2.7753	4.3935
H8	3.3050	2.2755	1.0920	2.2043	3.3220	5.0021	2.7753		2.7864
H9	3.2122	3.3475	2.2746	1.0893	2.1018	4.7318	4.3935	2.7864

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.396	C1	C2	H7	126.412
C1	O5	C4	105.980	C2	C1	O5	111.586
C2	C1	Cl6	132.199	C2	C3	C4	106.827
C2	C3	H8	126.853	C3	C2	H7	128.192
C3	C4	O5	110.211	C3	C4	H9	134.498
C4	C3	H8	126.319	O5	C1	Cl6	116.215
O5	C4	H9	115.291

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

using model chemistry: BLYP/aug-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	-0.510
2	C	1.469
3	C	1.258
4	C	0.094
5	O	-0.342
6	Cl	-0.146
7	H	-0.588
8	H	-0.625
9	H	-0.610

	x	y	z	Total
	1.260	-1.103	0.000	1.674
CHELPG
AIM
ESP

	x	y	z
x	10.187	-1.346	0.000
y	-1.346	12.926	0.000
z	0.000	0.000	6.509

<r²>	184.664
(<r²>)^1/2	13.589

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

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

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