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	hartrees
Energy at 0K	-689.541557
Energy at 298.15K	-689.545428
HF Energy	-689.541557
Nuclear repulsion energy	266.383872

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3324	3324	0.01
2	A'	3306	3306	0.51
3	A'	3285	3285	1.92
4	A'	1638	1638	22.83
5	A'	1547	1547	50.84
6	A'	1425	1425	19.67
7	A'	1269	1269	32.78
8	A'	1238	1238	24.00
9	A'	1178	1178	7.80
10	A'	1109	1109	12.52
11	A'	1031	1031	24.47
12	A'	948	948	28.35
13	A'	903	903	1.43
14	A'	504	504	4.41
15	A'	315	315	0.29
16	A"	891	891	0.04
17	A"	832	832	24.18
18	A"	760	760	42.64
19	A"	654	654	3.62
20	A"	621	621	6.37
21	A"	233	233	1.35

Atom	x (Å)	y (Å)
C1	0.000	0.263
C2	1.305	-0.095
C3	1.294	-1.529
C4	-0.008	-1.897
O5	-0.813	-0.805
Cl6	-0.755	1.792
H7	2.152	0.569
H8	2.147	-2.188
H9	-0.515	-2.847

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3534	2.2099	2.1599	1.3422	1.7050	2.1742	3.2581	3.1520
C2	1.3534		1.4333	2.2292	2.2339	2.7935	1.0770	2.2554	3.2988
C3	2.2099	1.4333		1.3527	2.2278	3.9015	2.2669	1.0781	2.2380
C4	2.1599	2.2292	1.3527		1.3568	3.7636	3.2786	2.1742	1.0767
O5	1.3422	2.2339	2.2278	1.3568		2.5974	3.2686	3.2671	2.0635
Cl6	1.7050	2.7935	3.9015	3.7636	2.5974		3.1536	4.9250	4.6448
H7	2.1742	1.0770	2.2669	3.2786	3.2686	3.1536		2.7572	4.3341
H8	3.2581	2.2554	1.0781	2.1742	3.2671	4.9250	2.7572		2.7420
H9	3.1520	3.2988	2.2380	1.0767	2.0635	4.6448	4.3341	2.7420

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	104.901	C1	C2	H7	126.534
C1	O5	C4	106.304	C2	C1	O5	111.935
C2	C1	Cl6	131.620	C2	C3	C4	106.251
C2	C3	H8	127.242	C3	C2	H7	128.565
C3	C4	O5	110.609	C3	C4	H9	133.893
C4	C3	H8	126.507	O5	C1	Cl6	116.445
O5	C4	H9	115.498

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

using model chemistry: wB97X-D/6-31G(2df,p)

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	0.258
2	C	-0.247
3	C	-0.208
4	C	-0.020
5	O	-0.169
6	Cl	-0.106
7	H	0.164
8	H	0.154
9	H	0.174

	x	y	z	Total
	1.190	-1.296	0.000	1.759
CHELPG
AIM
ESP

	x	y	z
x	8.302	-1.176	0.000
y	-1.176	10.505	0.000
z	0.000	0.000	4.112

<r²>	177.921
(<r²>)^1/2	13.339

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

using model chemistry: wB97X-D/6-31G(2df,p)

States and conformations

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