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	hartrees
Energy at 0K	-689.478413
Energy at 298.15K	-689.482213
HF Energy	-689.478413
Nuclear repulsion energy	265.445236

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3316	3178	0.00
2	A'	3301	3164	0.46
3	A'	3279	3143	1.95
4	A'	1628	1561	21.20
5	A'	1534	1471	59.45
6	A'	1425	1365	14.47
7	A'	1259	1206	21.73
8	A'	1227	1176	40.50
9	A'	1166	1118	7.59
10	A'	1104	1058	13.62
11	A'	1037	994	22.38
12	A'	940	900	32.70
13	A'	895	857	1.11
14	A'	499	479	5.26
15	A'	316	303	0.43
16	A"	872	836	0.05
17	A"	805	771	23.62
18	A"	735	704	47.18
19	A"	630	604	5.93
20	A"	612	586	4.22
21	A"	226	217	1.51

Atom	x (Å)	y (Å)
C1	0.000	0.266
C2	1.310	-0.099
C3	1.298	-1.531
C4	-0.007	-1.905
O5	-0.818	-0.808
Cl6	-0.757	1.798
H7	2.162	0.563
H8	2.156	-2.188
H9	-0.515	-2.857

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3599	2.2170	2.1719	1.3508	1.7079	2.1823	3.2669	3.1656
C2	1.3599		1.4316	2.2357	2.2434	2.8049	1.0793	2.2538	3.3070
C3	2.2170	1.4316		1.3585	2.2368	3.9115	2.2650	1.0806	2.2467
C4	2.1719	2.2357	1.3585		1.3646	3.7782	3.2864	2.1817	1.0785
O5	1.3508	2.2434	2.2368	1.3646		2.6065	3.2809	3.2790	2.0712
Cl6	1.7079	2.8049	3.9115	3.7782	2.6065		3.1689	4.9364	4.6609
H7	2.1823	1.0793	2.2650	3.2864	3.2809	3.1689		2.7512	4.3433
H8	3.2669	2.2538	1.0806	2.1817	3.2790	4.9364	2.7512		2.7535
H9	3.1656	3.3070	2.2467	1.0785	2.0712	4.6609	4.3433	2.7535

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.130	C1	C2	H7	126.559
C1	O5	C4	106.231	C2	C1	O5	111.707
C2	C1	Cl6	131.884	C2	C3	C4	106.478
C2	C3	H8	127.013	C3	C2	H7	128.311
C3	C4	O5	110.454	C3	C4	H9	134.100
C4	C3	H8	126.509	O5	C1	Cl6	116.410
O5	C4	H9	115.445

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

using model chemistry: B3PW91/6-31G**

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	0.119
2	C	-0.150
3	C	-0.170
4	C	0.102
5	O	-0.399
6	Cl	0.057
7	H	0.148
8	H	0.140
9	H	0.153

	x	y	z	Total
	1.248	-1.247	0.000	1.764
CHELPG
AIM
ESP

	x	y	z
x	7.923	-1.206	0.000
y	-1.206	10.190	0.000
z	0.000	0.000	3.306

<r²>	179.020
(<r²>)^1/2	13.380

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

using model chemistry: B3PW91/6-31G**

States and conformations

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