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	hartrees
Energy at 0K	-689.190689
Energy at 298.15K	-689.194504
HF Energy	-689.190689
Nuclear repulsion energy	265.988118

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3337	3171	0.01
2	A'	3319	3154	0.48
3	A'	3299	3135	1.79
4	A'	1645	1563	22.85
5	A'	1550	1473	59.06
6	A'	1439	1367	14.36
7	A'	1273	1210	32.50
8	A'	1241	1180	31.02
9	A'	1180	1122	7.48
10	A'	1116	1061	12.27
11	A'	1045	993	23.01
12	A'	948	900	32.60
13	A'	899	855	1.18
14	A'	506	481	4.90
15	A'	318	303	0.43
16	A"	875	831	0.05
17	A"	808	768	25.51
18	A"	740	703	48.55
19	A"	637	606	6.32
20	A"	616	585	4.54
21	A"	229	217	1.59

Atom	x (Å)	y (Å)
C1	0.000	0.266
C2	1.308	-0.100
C3	1.294	-1.530
C4	-0.011	-1.900
O5	-0.818	-0.805
Cl6	-0.752	1.794
H7	2.161	0.562
H8	2.151	-2.190
H9	-0.523	-2.850

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3581	2.2140	2.1665	1.3473	1.7029	2.1814	3.2646	3.1599
C2	1.3581		1.4303	2.2319	2.2393	2.7984	1.0799	2.2534	3.3039
C3	2.2140	1.4303		1.3569	2.2330	3.9036	2.2645	1.0811	2.2461
C4	2.1665	2.2319	1.3569		1.3605	3.7678	3.2835	2.1813	1.0790
O5	1.3473	2.2393	2.2330	1.3605		2.5993	3.2773	3.2757	2.0665
Cl6	1.7029	2.7984	3.9036	3.7678	2.5993		3.1635	4.9293	4.6496
H7	2.1814	1.0799	2.2645	3.2835	3.2773	3.1635		2.7514	4.3413
H8	3.2646	2.2534	1.0811	2.1813	3.2757	4.9293	2.7514		2.7543
H9	3.1599	3.3039	2.2461	1.0790	2.0665	4.6496	4.3413	2.7543

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.094	C1	C2	H7	126.574
C1	O5	C4	106.280	C2	C1	O5	111.725
C2	C1	Cl6	131.863	C2	C3	C4	106.375
C2	C3	H8	127.049	C3	C2	H7	128.332
C3	C4	O5	110.526	C3	C4	H9	134.159
C4	C3	H8	126.577	O5	C1	Cl6	116.412
O5	C4	H9	115.314

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

using model chemistry: PBE1PBE/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	0.124
2	C	-0.209
3	C	-0.223
4	C	0.054
5	O	-0.395
6	Cl	0.063
7	H	0.197
8	H	0.190
9	H	0.200

	x	y	z	Total
	1.241	-1.260	0.000	1.768
CHELPG
AIM
ESP

	x	y	z
x	7.840	-1.189	0.000
y	-1.189	10.044	0.000
z	0.000	0.000	3.276

<r²>	178.393
(<r²>)^1/2	13.356

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

using model chemistry: PBE1PBE/6-31G*

States and conformations

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