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	hartrees
Energy at 0K	-689.685304
Energy at 298.15K	-689.689179
HF Energy	-689.685304
Nuclear repulsion energy	266.761459

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3309	3174	0.08
2	A'	3295	3161	0.76
3	A'	3274	3140	1.74
4	A'	1625	1558	22.28
5	A'	1533	1470	61.27
6	A'	1422	1364	15.19
7	A'	1257	1206	15.68
8	A'	1225	1175	43.97
9	A'	1166	1118	6.21
10	A'	1104	1059	14.13
11	A'	1034	992	24.98
12	A'	945	907	28.15
13	A'	903	866	1.81
14	A'	504	483	4.89
15	A'	316	303	0.46
16	A"	895	859	0.10
17	A"	824	790	20.30
18	A"	749	718	59.94
19	A"	648	622	3.36
20	A"	621	596	7.03
21	A"	231	222	1.92

Atom	x (Å)	y (Å)
C1	0.000	0.266
C2	1.301	-0.103
C3	1.283	-1.531
C4	-0.016	-1.897
O5	-0.818	-0.801
Cl6	-0.742	1.793
H7	2.151	0.554
H8	2.133	-2.190
H9	-0.523	-2.845

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3522	2.2080	2.1636	1.3445	1.6976	2.1705	3.2537	3.1547
C2	1.3522		1.4273	2.2256	2.2309	2.7875	1.0748	2.2470	3.2926
C3	2.2080	1.4273		1.3506	2.2251	3.8922	2.2576	1.0761	2.2338
C4	2.1636	2.2256	1.3506		1.3588	3.7609	3.2720	2.1697	1.0744
O5	1.3445	2.2309	2.2251	1.3588		2.5944	3.2640	3.2627	2.0658
Cl6	1.6976	2.7875	3.8922	3.7609	2.5944		3.1481	4.9129	4.6430
H7	2.1705	1.0748	2.2576	3.2720	3.2640	3.1481		2.7440	4.3244
H8	3.2537	2.2470	1.0761	2.1697	3.2627	4.9129	2.7440		2.7356
H9	3.1547	3.2926	2.2338	1.0744	2.0658	4.6430	4.3244	2.7356

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.164	C1	C2	H7	126.467
C1	O5	C4	106.325	C2	C1	O5	111.640
C2	C1	Cl6	131.793	C2	C3	C4	106.453
C2	C3	H8	127.126	C3	C2	H7	128.369
C3	C4	O5	110.417	C3	C4	H9	133.873
C4	C3	H8	126.421	O5	C1	Cl6	116.566
O5	C4	H9	115.710

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

using model chemistry: mPW1PW91/cc-pVTZ

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	0.138
2	C	-0.145
3	C	-0.146
4	C	-0.010
5	O	-0.123
6	Cl	-0.076
7	H	0.124
8	H	0.114
9	H	0.124

	x	y	z	Total
	1.131	-1.145	0.000	1.609
CHELPG
AIM
ESP

	x	y	z
x	8.709	-1.201	0.000
y	-1.201	11.129	0.000
z	0.000	0.000	4.841

<r²>	177.770
(<r²>)^1/2	13.333

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

using model chemistry: mPW1PW91/cc-pVTZ

States and conformations

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