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	hartrees
Energy at 0K	-689.239477
Energy at 298.15K	-689.243224
HF Energy	-688.957690
Nuclear repulsion energy	264.624583

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3341	3182	0.21
2	A'	3319	3161	0.51
3	A'	3299	3142	1.84
4	A'	1611	1534	16.80
5	A'	1524	1451	68.30
6	A'	1419	1351	12.56
7	A'	1260	1200	11.53
8	A'	1214	1156	57.00
9	A'	1153	1098	8.59
10	A'	1095	1043	14.59
11	A'	1039	989	25.11
12	A'	934	890	28.78
13	A'	896	853	2.40
14	A'	497	473	4.98
15	A'	317	301	0.71
16	A"	844	804	0.59
17	A"	789	752	29.87
18	A"	724	689	65.09
19	A"	611	582	9.50
20	A"	592	564	0.91
21	A"	218	207	2.31

Atom	x (Å)	y (Å)
C1	0.000	0.270
C2	1.313	-0.096
C3	1.307	-1.531
C4	-0.000	-1.916
O5	-0.820	-0.813
Cl6	-0.763	1.801
H7	2.161	0.568
H8	2.165	-2.184
H9	-0.505	-2.866

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3628	2.2254	2.1860	1.3587	1.7102	2.1815	3.2727	3.1766
C2	1.3628		1.4351	2.2439	2.2501	2.8119	1.0772	2.2554	3.3130
C3	2.2254	1.4351		1.3622	2.2448	3.9224	2.2661	1.0783	2.2501
C4	2.1860	2.2439	1.3622		1.3743	3.7940	3.2922	2.1813	1.0759
O5	1.3587	2.2501	2.2448	1.3743		2.6143	3.2854	3.2847	2.0772
Cl6	1.7102	2.8119	3.9224	3.7940	2.6143		3.1736	4.9450	4.6739
H7	2.1815	1.0772	2.2661	3.2922	3.2854	3.1736		2.7522	4.3471
H8	3.2727	2.2554	1.0783	2.1813	3.2847	4.9450	2.7522		2.7548
H9	3.1766	3.3130	2.2501	1.0759	2.0772	4.6739	4.3471	2.7548

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.348	C1	C2	H7	126.371
C1	O5	C4	106.235	C2	C1	O5	111.542
C2	C1	Cl6	132.096	C2	C3	C4	106.644
C2	C3	H8	127.049	C3	C2	H7	128.281
C3	C4	O5	110.231	C3	C4	H9	134.367
C4	C3	H8	126.307	O5	C1	Cl6	116.362
O5	C4	H9	115.402

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

using model chemistry: B2PLYP/6-31+G**

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	-0.249
2	C	0.025
3	C	-0.174
4	C	-0.008
5	O	-0.212
6	Cl	0.137
7	H	0.163
8	H	0.156
9	H	0.161

	x	y	z	Total
	1.336	-1.157	0.000	1.767
CHELPG
AIM
ESP

	x	y	z
x	9.012	-1.143	0.000
y	-1.143	11.046	0.000
z	0.000	0.000	5.441

<r²>	180.836
(<r²>)^1/2	13.448

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

using model chemistry: B2PLYP/6-31+G**

States and conformations

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