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	hartrees
Energy at 0K	-689.693738
Energy at 298.15K	-689.697501
HF Energy	-689.693738
Nuclear repulsion energy	264.889543

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3289	3178	0.34
2	A'	3266	3156	0.38
3	A'	3246	3137	3.63
4	A'	1605	1551	21.12
5	A'	1509	1459	60.95
6	A'	1407	1359	17.36
7	A'	1250	1208	6.46
8	A'	1195	1155	51.98
9	A'	1140	1101	11.74
10	A'	1083	1047	21.57
11	A'	1028	994	22.98
12	A'	936	904	31.53
13	A'	902	872	1.91
14	A'	488	472	6.20
15	A'	312	302	0.56
16	A"	861	832	0.01
17	A"	796	769	26.44
18	A"	727	702	58.00
19	A"	629	608	5.22
20	A"	612	591	6.34
21	A"	220	213	2.30

Atom	x (Å)	y (Å)
C1	0.000	0.264
C2	1.308	-0.099
C3	1.301	-1.534
C4	-0.001	-1.913
O5	-0.818	-0.814
Cl6	-0.759	1.805
H7	2.159	0.564
H8	2.160	-2.187
H9	-0.509	-2.862

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3574	2.2190	2.1766	1.3531	1.7176	2.1795	3.2671	3.1673
C2	1.3574		1.4348	2.2370	2.2432	2.8102	1.0782	2.2553	3.3074
C3	2.2190	1.4348		1.3564	2.2381	3.9229	2.2658	1.0795	2.2456
C4	2.1766	2.2370	1.3564		1.3692	3.7937	3.2860	2.1791	1.0769
O5	1.3531	2.2432	2.2381	1.3692		2.6189	3.2801	3.2799	2.0716
Cl6	1.7176	2.8102	3.9229	3.7937	2.6189		3.1712	4.9454	4.6734
H7	2.1795	1.0782	2.2658	3.2860	3.2801	3.1712		2.7504	4.3422
H8	3.2671	2.2553	1.0795	2.1791	3.2799	4.9454	2.7504		2.7540
H9	3.1673	3.3074	2.2456	1.0769	2.0716	4.6734	4.3422	2.7540

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.222	C1	C2	H7	126.596
C1	O5	C4	106.170	C2	C1	O5	111.704
C2	C1	Cl6	131.744	C2	C3	C4	106.505
C2	C3	H8	126.957	C3	C2	H7	128.182
C3	C4	O5	110.400	C3	C4	H9	134.376
C4	C3	H8	126.539	O5	C1	Cl6	116.553
O5	C4	H9	115.224

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

using model chemistry: B3LYP/6-311G*

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	0.103
2	C	-0.202
3	C	-0.248
4	C	-0.045
5	O	-0.218
6	Cl	-0.045
7	H	0.221
8	H	0.209
9	H	0.224

	x	y	z	Total
	1.331	-1.287	0.000	1.851
CHELPG
AIM
ESP

	x	y	z
x	8.135	-1.364	0.000
y	-1.364	10.664	0.000
z	0.000	0.000	3.716

<r²>	180.452
(<r²>)^1/2	13.433

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

using model chemistry: B3LYP/6-311G*

States and conformations

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