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	hartrees
Energy at 0K	-689.618772
Energy at 298.15K	-689.622649
HF Energy	-689.618772
Nuclear repulsion energy	266.560345

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3294	3146	1.40
2	A'	3286	3138	1.35
3	A'	3269	3122	1.60
4	A'	1636	1563	22.18
5	A'	1542	1473	65.08
6	A'	1420	1356	17.46
7	A'	1262	1206	32.60
8	A'	1228	1173	28.63
9	A'	1165	1112	10.38
10	A'	1109	1060	15.45
11	A'	1029	983	24.63
12	A'	947	904	30.71
13	A'	902	862	1.41
14	A'	499	477	4.97
15	A'	307	294	0.44
16	A"	918	877	0.03
17	A"	845	807	21.16
18	A"	767	732	60.34
19	A"	656	627	3.13
20	A"	622	594	8.56
21	A"	225	215	2.05

Atom	x (Å)	y (Å)
C1	0.000	0.265
C2	1.301	-0.095
C3	1.292	-1.527
C4	-0.005	-1.899
O5	-0.813	-0.806
Cl6	-0.753	1.791
H7	2.146	0.570
H8	2.145	-2.183
H9	-0.507	-2.849

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3503	2.2098	2.1648	1.3446	1.7013	2.1674	3.2549	3.1559
C2	1.3503		1.4326	2.2281	2.2306	2.7888	1.0746	2.2522	3.2952
C3	2.2098	1.4326		1.3497	2.2252	3.8978	2.2642	1.0756	2.2325
C4	2.1648	2.2281	1.3497		1.3596	3.7652	3.2748	2.1685	1.0743
O5	1.3446	2.2306	2.2252	1.3596		2.5970	3.2629	3.2625	2.0667
Cl6	1.7013	2.7888	3.8978	3.7652	2.5970		3.1460	4.9183	4.6468
H7	2.1674	1.0746	2.2642	3.2748	3.2629	3.1460		2.7528	4.3276
H8	3.2549	2.2522	1.0756	2.1685	3.2625	4.9183	2.7528		2.7338
H9	3.1559	3.2952	2.2325	1.0743	2.0667	4.6468	4.3276	2.7338

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.092	C1	C2	H7	126.343
C1	O5	C4	106.364	C2	C1	O5	111.731
C2	C1	Cl6	131.756	C2	C3	C4	106.380
C2	C3	H8	127.196	C3	C2	H7	128.565
C3	C4	O5	110.433	C3	C4	H9	133.832
C4	C3	H8	126.424	O5	C1	Cl6	116.513
O5	C4	H9	115.735

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

using model chemistry: M06-2X/cc-pVTZ

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	0.104
2	C	-0.169
3	C	-0.158
4	C	-0.039
5	O	-0.143
6	Cl	-0.045
7	H	0.159
8	H	0.139
9	H	0.152

	x	y	z	Total
	1.192	-1.181	0.000	1.678
CHELPG
AIM
ESP

	x	y	z
x	8.765	-1.211	0.000
y	-1.211	11.029	0.000
z	0.000	0.000	4.869

<r²>	178.246
(<r²>)^1/2	13.351

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

using model chemistry: M06-2X/cc-pVTZ

States and conformations

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