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	hartrees
Energy at 0K	-689.469813
Energy at 298.15K	-689.473635
HF Energy	-689.469813
Nuclear repulsion energy	261.751311

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3385	3204	0.48
2	A'	3353	3174	0.65
3	A'	3329	3151	2.00
4	A'	1639	1551	26.41
5	A'	1541	1459	53.19
6	A'	1419	1344	12.22
7	A'	1277	1209	10.71
8	A'	1206	1141	45.20
9	A'	1158	1096	12.55
10	A'	1079	1022	14.09
11	A'	1049	993	23.02
12	A'	930	880	33.13
13	A'	909	861	4.98
14	A'	480	454	5.13
15	A'	301	285	0.51
16	A"	933	884	0.46
17	A"	868	821	25.01
18	A"	769	728	75.42
19	A"	638	604	1.61
20	A"	618	585	8.55
21	A"	227	215	2.91

Atom	x (Å)	y (Å)
C1	0.000	0.264
C2	1.316	-0.074
C3	1.351	-1.512
C4	0.062	-1.948
O5	-0.800	-0.854
Cl6	-0.820	1.817
H7	2.152	0.602
H8	2.234	-2.128
H9	-0.414	-2.910

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3583	2.2318	2.2134	1.3746	1.7559	2.1784	3.2733	3.2012
C2	1.3583		1.4391	2.2553	2.2549	2.8523	1.0754	2.2503	3.3223
C3	2.2318	1.4391		1.3607	2.2496	3.9745	2.2613	1.0768	2.2514
C4	2.2134	2.2553	1.3607		1.3934	3.8671	3.2977	2.1799	1.0731
O5	1.3746	2.2549	2.2496	1.3934		2.6704	3.2916	3.2911	2.0925
Cl6	1.7559	2.8523	3.9745	3.8671	2.6704		3.2107	4.9890	4.7444
H7	2.1784	1.0754	2.2613	3.2977	3.2916	3.2107		2.7314	4.3500
H8	3.2733	2.2503	1.0768	2.1799	3.2911	4.9890	2.7314		2.7615
H9	3.2012	3.3223	2.2514	1.0731	2.0925	4.7444	4.3500	2.7615

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.804	C1	C2	H7	126.653
C1	O5	C4	106.192	C2	C1	O5	111.194
C2	C1	Cl6	132.247	C2	C3	C4	107.287
C2	C3	H8	126.267	C3	C2	H7	127.543
C3	C4	O5	109.524	C3	C4	H9	135.017
C4	C3	H8	126.446	O5	C1	Cl6	116.560
O5	C4	H9	115.459

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

using model chemistry: mPW1PW91/6-31G

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	-0.029
2	C	-0.182
3	C	-0.207
4	C	0.068
5	O	-0.478
6	Cl	0.204
7	H	0.207
8	H	0.198
9	H	0.218

	x	y	z	Total
	1.893	-1.465	0.000	2.394
CHELPG
AIM
ESP

	x	y	z
x	7.652	-1.337	0.000
y	-1.337	9.837	0.000
z	0.000	0.000	2.747

<r²>	184.467
(<r²>)^1/2	13.582

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

using model chemistry: mPW1PW91/6-31G

States and conformations

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