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	hartrees
Energy at 0K	-689.619681
Energy at 298.15K	-689.623545
HF Energy	-689.619681
Nuclear repulsion energy	266.014843

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3322	3172	0.29
2	A'	3301	3152	1.24
3	A'	3280	3133	1.32
4	A'	1634	1560	21.16
5	A'	1544	1475	67.22
6	A'	1424	1360	19.55
7	A'	1266	1209	22.09
8	A'	1229	1174	44.14
9	A'	1166	1113	9.94
10	A'	1107	1057	15.76
11	A'	1030	984	27.92
12	A'	951	908	28.87
13	A'	909	868	1.07
14	A'	500	477	5.83
15	A'	317	303	0.47
16	A"	892	852	0.03
17	A"	833	796	21.86
18	A"	754	720	67.39
19	A"	644	615	3.79
20	A"	611	584	6.19
21	A"	229	218	2.40

Atom	x (Å)	y (Å)
C1	0.000	0.260
C2	1.303	-0.095
C3	1.297	-1.526
C4	0.001	-1.903
O5	-0.810	-0.812
Cl6	-0.760	1.797
H7	2.149	0.570
H8	2.154	-2.180
H9	-0.499	-2.855

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3504	2.2083	2.1635	1.3438	1.7141	2.1712	3.2549	3.1555
C2	1.3504		1.4315	2.2281	2.2313	2.7992	1.0761	2.2520	3.2965
C3	2.2083	1.4315		1.3502	2.2256	3.9088	2.2628	1.0772	2.2346
C4	2.1635	2.2281	1.3502		1.3598	3.7773	3.2757	2.1707	1.0755
O5	1.3438	2.2313	2.2256	1.3598		2.6087	3.2658	3.2646	2.0673
Cl6	1.7141	2.7992	3.9088	3.7773	2.6087		3.1575	4.9302	4.6594
H7	2.1712	1.0761	2.2628	3.2757	3.2658	3.1575		2.7499	4.3295
H8	3.2549	2.2520	1.0772	2.1707	3.2646	4.9302	2.7499		2.7374
H9	3.1555	3.2965	2.2346	1.0755	2.0673	4.6594	4.3295	2.7374

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.044	C1	C2	H7	126.582
C1	O5	C4	106.302	C2	C1	O5	111.823
C2	C1	Cl6	131.596	C2	C3	C4	106.411
C2	C3	H8	127.136	C3	C2	H7	128.374
C3	C4	O5	110.420	C3	C4	H9	133.889
C4	C3	H8	126.453	O5	C1	Cl6	116.581
O5	C4	H9	115.690

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

using model chemistry: wB97X-D/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	-0.037
2	C	-0.071
3	C	-0.169
4	C	-0.063
5	O	-0.091
6	Cl	-0.041
7	H	0.169
8	H	0.153
9	H	0.151

	x	y	z	Total
	1.292	-1.239	0.000	1.790
CHELPG
AIM
ESP

	x	y	z
x	8.554	-1.128	0.000
y	-1.128	10.531	0.000
z	0.000	0.000	4.928

<r²>	179.021
(<r²>)^1/2	13.380

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

using model chemistry: wB97X-D/TZVP

States and conformations

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