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	hartrees
Energy at 0K	-689.581202
Energy at 298.15K	-689.585029
HF Energy	-689.581202
Nuclear repulsion energy	266.327891

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3336	3191	0.15
2	A'	3318	3174	0.81
3	A'	3297	3154	1.84
4	A'	1637	1566	20.82
5	A'	1545	1478	70.85
6	A'	1430	1368	14.29
7	A'	1264	1209	36.40
8	A'	1236	1182	32.92
9	A'	1173	1122	8.00
10	A'	1110	1062	12.35
11	A'	1039	994	26.08
12	A'	942	901	31.21
13	A'	892	853	1.37
14	A'	505	483	5.28
15	A'	316	303	0.71
16	A"	882	844	0.01
17	A"	812	776	21.95
18	A"	743	711	70.54
19	A"	634	607	5.13
20	A"	609	583	5.08
21	A"	229	219	2.34

Atom	x (Å)	y (Å)
C1	0.000	0.267
C2	1.306	-0.098
C3	1.294	-1.526
C4	-0.009	-1.900
O5	-0.815	-0.804
Cl6	-0.754	1.791
H7	2.156	0.564
H8	2.149	-2.184
H9	-0.515	-2.849

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3562	2.2115	2.1669	1.3458	1.7001	2.1761	3.2595	3.1586
C2	1.3562		1.4281	2.2304	2.2352	2.7951	1.0771	2.2496	3.2995
C3	2.2115	1.4281		1.3553	2.2290	3.8984	2.2606	1.0783	2.2417
C4	2.1669	2.2304	1.3553		1.3603	3.7651	3.2794	2.1758	1.0762
O5	1.3458	2.2352	2.2290	1.3603		2.5955	3.2703	3.2687	2.0668
Cl6	1.7001	2.7951	3.8984	3.7651	2.5955		3.1581	4.9218	4.6460
H7	2.1761	1.0771	2.2606	3.2794	3.2703	3.1581		2.7479	4.3341
H8	3.2595	2.2496	1.0783	2.1758	3.2687	4.9218	2.7479		2.7458
H9	3.1586	3.2995	2.2417	1.0762	2.0668	4.6460	4.3341	2.7458

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.141	C1	C2	H7	126.457
C1	O5	C4	106.410	C2	C1	O5	111.631
C2	C1	Cl6	131.959	C2	C3	C4	106.485
C2	C3	H8	127.119	C3	C2	H7	128.401
C3	C4	O5	110.333	C3	C4	H9	134.105
C4	C3	H8	126.397	O5	C1	Cl6	116.410
O5	C4	H9	115.562

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

using model chemistry: B1B95/6-31+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	-0.362
2	C	0.093
3	C	-0.177
4	C	-0.053
5	O	-0.161
6	Cl	0.155
7	H	0.171
8	H	0.165
9	H	0.168

	x	y	z	Total
	1.291	-1.174	0.000	1.745
CHELPG
AIM
ESP

	x	y	z
x	8.883	-1.147	0.000
y	-1.147	10.972	0.000
z	0.000	0.000	5.282

<r²>	178.466
(<r²>)^1/2	13.359

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

using model chemistry: B1B95/6-31+G**

States and conformations

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