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	hartrees
Energy at 0K	-689.568217
Energy at 298.15K	-689.572026
HF Energy	-689.568217
Nuclear repulsion energy	266.389517

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3342	3172	0.05
2	A'	3324	3155	0.36
3	A'	3303	3135	2.10
4	A'	1649	1565	22.12
5	A'	1553	1475	60.25
6	A'	1441	1367	13.84
7	A'	1274	1209	33.52
8	A'	1243	1180	31.44
9	A'	1181	1121	7.79
10	A'	1117	1061	12.89
11	A'	1045	992	22.99
12	A'	944	896	33.43
13	A'	894	848	1.23
14	A'	505	479	4.84
15	A'	315	299	0.42
16	A"	877	833	0.07
17	A"	810	769	23.21
18	A"	743	705	47.17
19	A"	637	604	5.77
20	A"	614	583	4.40
21	A"	230	218	1.53

Atom	x (Å)	y (Å)
C1	0.000	0.266
C2	1.306	-0.098
C3	1.295	-1.525
C4	-0.006	-1.898
O5	-0.814	-0.806
Cl6	-0.756	1.790
H7	2.156	0.564
H8	2.151	-2.181
H9	-0.514	-2.847

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3552	2.2096	2.1633	1.3455	1.7019	2.1764	3.2579	3.1549
C2	1.3552		1.4270	2.2274	2.2349	2.7953	1.0776	2.2484	3.2972
C3	2.2096	1.4270		1.3538	2.2286	3.8982	2.2595	1.0788	2.2412
C4	2.1633	2.2274	1.3538		1.3586	3.7636	3.2767	2.1761	1.0768
O5	1.3455	2.2349	2.2286	1.3586		2.5966	3.2708	3.2691	2.0635
Cl6	1.7019	2.7953	3.8982	3.7636	2.5966		3.1591	4.9217	4.6439
H7	2.1764	1.0776	2.2595	3.2767	3.2708	3.1591		2.7454	4.3322
H8	3.2579	2.2484	1.0788	2.1761	3.2691	4.9217	2.7454		2.7476
H9	3.1549	3.2972	2.2412	1.0768	2.0635	4.6439	4.3322	2.7476

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.127	C1	C2	H7	126.545
C1	O5	C4	106.264	C2	C1	O5	111.696
C2	C1	Cl6	131.908	C2	C3	C4	106.417
C2	C3	H8	127.050	C3	C2	H7	128.328
C3	C4	O5	110.496	C3	C4	H9	134.148
C4	C3	H8	126.534	O5	C1	Cl6	116.396
O5	C4	H9	115.356

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

using model chemistry: B1B95/6-31G*

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	0.126
2	C	-0.192
3	C	-0.208
4	C	0.065
5	O	-0.401
6	Cl	0.057
7	H	0.186
8	H	0.178
9	H	0.189

	x	y	z	Total
	1.251	-1.252	0.000	1.770
CHELPG
AIM
ESP

	x	y	z
x	7.821	-1.190	0.000
y	-1.190	10.020	0.000
z	0.000	0.000	3.264

<r²>	177.897
(<r²>)^1/2	13.338

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

using model chemistry: B1B95/6-31G*

States and conformations

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