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	hartrees
Energy at 0K	-689.641476
Energy at 298.15K	-689.645306
HF Energy	-689.641476
Nuclear repulsion energy	266.362090

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3318	3167	0.25
2	A'	3298	3148	0.28
3	A'	3278	3129	2.97
4	A'	1631	1557	24.05
5	A'	1539	1469	63.42
6	A'	1429	1363	16.31
7	A'	1261	1204	16.58
8	A'	1229	1173	51.06
9	A'	1169	1116	8.18
10	A'	1107	1056	16.11
11	A'	1039	992	25.12
12	A'	948	905	31.37
13	A'	906	865	1.41
14	A'	504	481	5.51
15	A'	318	303	0.58
16	A"	873	834	0.00
17	A"	806	769	25.66
18	A"	740	706	62.61
19	A"	641	612	5.23
20	A"	617	589	6.68
21	A"	226	216	2.49

Atom	x (Å)	y (Å)
C1	0.000	0.264
C2	1.303	-0.104
C3	1.286	-1.533
C4	-0.017	-1.899
O5	-0.819	-0.802
Cl6	-0.744	1.796
H7	2.156	0.554
H8	2.138	-2.194
H9	-0.531	-2.844

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3544	2.2105	2.1631	1.3446	1.7025	2.1757	3.2585	3.1536
C2	1.3544		1.4294	2.2279	2.2344	2.7929	1.0773	2.2508	3.2975
C3	2.2105	1.4294		1.3533	2.2289	3.8993	2.2615	1.0785	2.2406
C4	2.1631	2.2279	1.3533		1.3590	3.7653	3.2770	2.1756	1.0763
O5	1.3446	2.2344	2.2289	1.3590		2.5987	3.2699	3.2691	2.0627
Cl6	1.7025	2.7929	3.8993	3.7653	2.5987		3.1548	4.9222	4.6449
H7	2.1757	1.0773	2.2615	3.2770	3.2699	3.1548		2.7482	4.3324
H8	3.2585	2.2508	1.0785	2.1756	3.2691	4.9222	2.7482		2.7475
H9	3.1536	3.2975	2.2406	1.0763	2.0627	4.6449	4.3324	2.7475

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.096	C1	C2	H7	126.567
C1	O5	C4	106.274	C2	C1	O5	111.756
C2	C1	Cl6	131.690	C2	C3	C4	106.347
C2	C3	H8	127.096	C3	C2	H7	128.337
C3	C4	O5	110.527	C3	C4	H9	134.189
C4	C3	H8	126.557	O5	C1	Cl6	116.554
O5	C4	H9	115.284

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

using model chemistry: mPW1PW91/6-311G*

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	0.112
2	C	-0.220
3	C	-0.269
4	C	-0.041
5	O	-0.218
6	Cl	-0.043
7	H	0.230
8	H	0.217
9	H	0.232

	x	y	z	Total
	1.276	-1.259	0.000	1.792
CHELPG
AIM
ESP

	x	y	z
x	8.024	-1.304	0.000
y	-1.304	10.468	0.000
z	0.000	0.000	3.725

<r²>	178.368
(<r²>)^1/2	13.355

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

using model chemistry: mPW1PW91/6-311G*

States and conformations

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