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	hartrees
Energy at 0K	-689.200102
Energy at 298.15K	-689.203744
HF Energy	-689.200102
Nuclear repulsion energy	263.149315

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3228	3208	0.26
2	A'	3213	3193	0.59
3	A'	3190	3170	1.70
4	A'	1552	1543	18.43
5	A'	1472	1463	59.60
6	A'	1360	1352	10.78
7	A'	1192	1184	2.75
8	A'	1160	1153	58.63
9	A'	1110	1104	3.60
10	A'	1045	1039	14.39
11	A'	992	986	26.27
12	A'	898	893	24.13
13	A'	862	857	1.14
14	A'	483	480	5.17
15	A'	302	300	0.64
16	A"	816	811	0.14
17	A"	754	749	24.50
18	A"	688	684	57.59
19	A"	598	595	3.69
20	A"	592	589	6.48
21	A"	214	213	1.81

Atom	x (Å)	y (Å)
C1	0.000	0.272
C2	1.323	-0.097
C3	1.315	-1.536
C4	-0.001	-1.923
O5	-0.827	-0.816
Cl6	-0.768	1.808
H7	2.182	0.577
H8	2.184	-2.198
H9	-0.513	-2.886

	C1	C2	C3	C4	O5	Cl6	H7	H8	H9
C1		1.3733	2.2353	2.1945	1.3664	1.7177	2.2029	3.2973	3.1991
C2	1.3733		1.4390	2.2554	2.2668	2.8287	1.0913	2.2711	3.3389
C3	2.2353	1.4390		1.3719	2.2595	3.9397	2.2832	1.0929	2.2723
C4	2.1945	2.2554	1.3719		1.3806	3.8088	3.3182	2.2027	1.0907
O5	1.3664	2.2668	2.2595	1.3806		2.6249	3.3152	3.3131	2.0935
Cl6	1.7177	2.8287	3.9397	3.8088	2.6249		3.1967	4.9768	4.7010
H7	2.2029	1.0913	2.2832	3.3182	3.3152	3.1967		2.7749	4.3873
H8	3.2973	2.2711	1.0929	2.2027	3.3131	4.9768	2.7749		2.7831
H9	3.1991	3.3389	2.2723	1.0907	2.0935	4.7010	4.3873	2.7831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	C3	105.260	C1	C2	H7	126.328
C1	O5	C4	106.040	C2	C1	O5	111.661
C2	C1	Cl6	132.139	C2	C3	C4	106.691
C2	C3	H8	127.005	C3	C2	H7	128.412
C3	C4	O5	110.348	C3	C4	H9	134.347
C4	C3	H8	126.304	O5	C1	Cl6	116.200
O5	C4	H9	115.304

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

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

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	-0.340
2	C	1.204
3	C	1.038
4	C	0.073
5	O	-0.388
6	Cl	-0.196
7	H	-0.443
8	H	-0.479
9	H	-0.469

	x	y	z	Total
	1.167	-1.077	0.000	1.588
CHELPG
AIM
ESP

	x	y	z
x	10.012	-1.292	0.000
y	-1.292	12.751	0.000
z	0.000	0.000	6.422

<r²>	182.318
(<r²>)^1/2	13.503

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

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

States and conformations

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