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	hartrees
Energy at 0K	-689.579267
Energy at 298.15K	-689.583099
HF Energy	-689.579267
Nuclear repulsion energy	265.892574

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3337	3176	0.28
2	A'	3318	3158	0.92
3	A'	3298	3139	1.68
4	A'	1632	1553	20.55
5	A'	1541	1467	70.02
6	A'	1429	1360	14.88
7	A'	1264	1203	28.33
8	A'	1233	1174	38.73
9	A'	1170	1114	7.98
10	A'	1110	1056	12.65
11	A'	1040	990	25.76
12	A'	945	900	30.67
13	A'	899	856	1.41
14	A'	505	481	5.49
15	A'	319	304	0.74
16	A"	883	841	0.00
17	A"	813	774	24.62
18	A"	742	706	71.97
19	A"	635	604	5.49
20	A"	612	582	5.33
21	A"	228	217	2.42

Atom	x (Å)	y (Å)
C1	0.000	0.268
C2	1.308	-0.100
C3	1.294	-1.531
C4	-0.012	-1.903
O5	-0.817	-0.804
Cl6	-0.752	1.795
H7	2.160	0.561
H8	2.148	-2.191
H9	-0.521	-2.852

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3586	2.2159	2.1710	1.3479	1.7024	2.1796	3.2647	3.1634
C2	1.3586		1.4314	2.2348	2.2387	2.7990	1.0781	2.2533	3.3048
C3	2.2159	1.4314		1.3577	2.2325	3.9051	2.2642	1.0793	2.2449
C4	2.1710	2.2348	1.3577		1.3624	3.7716	3.2846	2.1792	1.0771
O5	1.3479	2.2387	2.2325	1.3624		2.6000	3.2749	3.2734	2.0695
Cl6	1.7024	2.7990	3.9051	3.7716	2.6000		3.1627	4.9292	4.6532
H7	2.1796	1.0781	2.2642	3.2846	3.2749	3.1627		2.7516	4.3402
H8	3.2647	2.2533	1.0793	2.1792	3.2734	4.9292	2.7516		2.7501
H9	3.1634	3.3048	2.2449	1.0771	2.0695	4.6532	4.3402	2.7501

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.135	C1	C2	H7	126.498
C1	O5	C4	106.458	C2	C1	O5	111.616
C2	C1	Cl6	131.921	C2	C3	C4	106.470
C2	C3	H8	127.096	C3	C2	H7	128.368
C3	C4	O5	110.321	C3	C4	H9	134.113
C4	C3	H8	126.434	O5	C1	Cl6	116.463
O5	C4	H9	115.565

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

using model chemistry: mPW1PW91/6-31+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	-0.450
2	C	0.110
3	C	-0.201
4	C	-0.063
5	O	-0.144
6	Cl	0.208
7	H	0.183
8	H	0.177
9	H	0.180

	x	y	z	Total
	1.292	-1.176	0.000	1.747
CHELPG
AIM
ESP

	x	y	z
x	8.897	-1.144	0.000
y	-1.144	10.983	0.000
z	0.000	0.000	5.301

<r²>	178.992
(<r²>)^1/2	13.379

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

using model chemistry: mPW1PW91/6-31+G**

States and conformations

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