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	hartrees
Energy at 0K	-689.717407
Energy at 298.15K	-689.721189
HF Energy	-689.717407
Nuclear repulsion energy	264.810015

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3294	3180	0.31
2	A'	3275	3162	0.72
3	A'	3254	3142	1.64
4	A'	1601	1545	18.96
5	A'	1507	1455	66.37
6	A'	1401	1353	17.79
7	A'	1250	1206	6.78
8	A'	1190	1149	48.09
9	A'	1136	1097	13.09
10	A'	1080	1043	20.92
11	A'	1027	991	25.23
12	A'	935	903	30.23
13	A'	902	870	1.53
14	A'	487	470	6.47
15	A'	313	302	0.56
16	A"	863	833	0.00
17	A"	807	779	21.82
18	A"	734	708	64.72
19	A"	627	605	4.67
20	A"	602	581	4.29
21	A"	222	215	2.39

Atom	x (Å)	y (Å)
C1	0.000	0.264
C2	1.307	-0.095
C3	1.306	-1.528
C4	0.008	-1.916
O5	-0.814	-0.818
Cl6	-0.767	1.804
H7	2.154	0.569
H8	2.167	-2.176
H9	-0.490	-2.868

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3553	2.2175	2.1797	1.3540	1.7210	2.1756	3.2632	3.1704
C2	1.3553		1.4335	2.2367	2.2406	2.8124	1.0761	2.2518	3.3049
C3	2.2175	1.4335		1.3543	2.2352	3.9249	2.2621	1.0774	2.2409
C4	2.1797	2.2367	1.3543		1.3709	3.8000	3.2830	2.1743	1.0751
O5	1.3540	2.2406	2.2352	1.3709		2.6231	3.2759	3.2750	2.0754
Cl6	1.7210	2.8124	3.9249	3.8000	2.6231		3.1721	4.9450	4.6809
H7	2.1756	1.0761	2.2621	3.2830	3.2759	3.1721		2.7448	4.3366
H8	3.2632	2.2518	1.0774	2.1743	3.2750	4.9450	2.7448		2.7457
H9	3.1704	3.3049	2.2409	1.0751	2.0754	4.6809	4.3366	2.7457

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.304	C1	C2	H7	126.578
C1	O5	C4	106.239	C2	C1	O5	111.585
C2	C1	Cl6	131.832	C2	C3	C4	106.667
C2	C3	H8	126.911	C3	C2	H7	128.118
C3	C4	O5	110.205	C3	C4	H9	134.235
C4	C3	H8	126.422	O5	C1	Cl6	116.583
O5	C4	H9	115.560

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

using model chemistry: B3LYP/TZVP

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	-0.044
2	C	-0.042
3	C	-0.153
4	C	-0.044
5	O	-0.112
6	Cl	-0.040
7	H	0.153
8	H	0.140
9	H	0.142

	x	y	z
x	8.677	-1.195	0.000
y	-1.195	10.875	0.000
z	0.000	0.000	4.940

<r²>	180.685
(<r²>)^1/2	13.442

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

using model chemistry: B3LYP/TZVP

States and conformations

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