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	hartrees
Energy at 0K	-689.566047
Energy at 298.15K	-689.569863
HF Energy	-689.566047
Nuclear repulsion energy	265.955990

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3342	3169	0.02
2	A'	3324	3152	0.34
3	A'	3303	3132	2.03
4	A'	1645	1560	22.04
5	A'	1550	1469	59.41
6	A'	1440	1365	14.56
7	A'	1274	1208	26.34
8	A'	1241	1177	36.43
9	A'	1179	1118	8.08
10	A'	1117	1059	13.14
11	A'	1047	993	22.62
12	A'	948	899	33.07
13	A'	901	855	1.26
14	A'	505	479	5.04
15	A'	318	302	0.44
16	A"	878	833	0.04
17	A"	812	770	25.63
18	A"	741	703	48.38
19	A"	637	604	6.19
20	A"	616	584	4.61
21	A"	228	217	1.60

Atom	x (Å)	y (Å)
C1	0.000	0.266
C2	1.307	-0.099
C3	1.295	-1.530
C4	-0.009	-1.901
O5	-0.817	-0.806
Cl6	-0.754	1.795
H7	2.160	0.562
H8	2.151	-2.187
H9	-0.520	-2.850

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3575	2.2139	2.1673	1.3476	1.7043	2.1797	3.2629	3.1595
C2	1.3575		1.4304	2.2318	2.2385	2.7992	1.0785	2.2520	3.3024
C3	2.2139	1.4304		1.3562	2.2322	3.9049	2.2630	1.0797	2.2441
C4	2.1673	2.2318	1.3562		1.3607	3.7701	3.2818	2.1794	1.0775
O5	1.3476	2.2385	2.2322	1.3607		2.6012	3.2754	3.2736	2.0660
Cl6	1.7043	2.7992	3.9049	3.7701	2.6012		3.1636	4.9289	4.6509
H7	2.1797	1.0785	2.2630	3.2818	3.2754	3.1636		2.7490	4.3381
H8	3.2629	2.2520	1.0797	2.1794	3.2736	4.9289	2.7490		2.7517
H9	3.1595	3.3024	2.2441	1.0775	2.0660	4.6509	4.3381	2.7517

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.116	C1	C2	H7	126.586
C1	O5	C4	106.307	C2	C1	O5	111.688
C2	C1	Cl6	131.866	C2	C3	C4	106.402
C2	C3	H8	127.027	C3	C2	H7	128.298
C3	C4	O5	110.488	C3	C4	H9	134.154
C4	C3	H8	126.571	O5	C1	Cl6	116.446
O5	C4	H9	115.358

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

using model chemistry: mPW1PW91/6-31G*

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	0.129
2	C	-0.209
3	C	-0.222
4	C	0.056
5	O	-0.400
6	Cl	0.060
7	H	0.197
8	H	0.189
9	H	0.200

	x	y	z	Total
	1.259	-1.265	0.000	1.785
CHELPG
AIM
ESP

	x	y	z
x	7.831	-1.193	0.000
y	-1.193	10.031	0.000
z	0.000	0.000	3.272

<r²>	178.422
(<r²>)^1/2	13.357

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

using model chemistry: mPW1PW91/6-31G*

States and conformations

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