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	hartrees
Energy at 0K	-231.066391
Energy at 298.15K	-231.073416
HF Energy	-231.066391
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3183	3121	17.07
2	A₁	2929	2872	13.23
3	A₁	1663	1631	0.02
4	A₁	1525	1496	0.71
5	A₁	1378	1351	7.84
6	A₁	1104	1082	1.27
7	A₁	976	957	5.71
8	A₁	888	871	17.54
9	A₁	741	726	6.76
10	A₂	2936	2879	0.00
11	A₂	1205	1182	0.00
12	A₂	1043	1023	0.00
13	A₂	911	893	0.00
14	A₂	376	369	0.00
15	B₁	2940	2882	149.27
16	B₁	1149	1127	4.45
17	B₁	1012	992	13.28
18	B₁	655	642	28.07
19	B₁	99	97	6.63
20	B₂	3159	3098	6.82
21	B₂	2919	2862	195.12
22	B₂	1511	1481	6.80
23	B₂	1352	1326	0.83
24	B₂	1308	1282	0.01
25	B₂	1080	1059	98.15
26	B₂	904	886	0.07
27	B₂	794	778	4.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.197
C2	0.000	1.175	0.371
C3	0.000	0.669	-1.048
C4	0.000	-0.669	-1.048
C5	0.000	-1.175	0.371
H6	0.891	1.791	0.599
H7	-0.891	1.791	0.599
H8	-0.891	-1.791	0.599
H9	0.891	-1.791	0.599
H10	0.000	1.323	-1.919
H11	0.000	-1.323	-1.919

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4361	2.3429	2.3429	1.4361	2.0883	2.0883	2.0883	2.0883	3.3855	3.3855
C2	1.4361		1.5067	2.3267	2.3495	1.1073	1.1073	3.1055	3.1055	2.2950	3.3888
C3	2.3429	1.5067		1.3380	2.3267	2.1834	2.1834	3.0921	3.0921	1.0892	2.1741
C4	2.3429	2.3267	1.3380		1.5067	3.0921	3.0921	2.1834	2.1834	2.1741	1.0892
C5	1.4361	2.3495	2.3267	1.5067		3.1055	3.1055	1.1073	1.1073	3.3888	2.2950
H6	2.0883	1.1073	2.1834	3.0921	3.1055		1.7819	4.0016	3.5829	2.7119	4.1031
H7	2.0883	1.1073	2.1834	3.0921	3.1055	1.7819		3.5829	4.0016	2.7119	4.1031
H8	2.0883	3.1055	3.0921	2.1834	1.1073	4.0016	3.5829		1.7819	4.1031	2.7119
H9	2.0883	3.1055	3.0921	2.1834	1.1073	3.5829	4.0016	1.7819		4.1031	2.7119
H10	3.3855	2.2950	1.0892	2.1741	3.3888	2.7119	2.7119	4.1031	4.1031		2.6461
H11	3.3855	3.3888	2.1741	1.0892	2.2950	4.1031	4.1031	2.7119	2.7119	2.6461

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	105.502	O1	C2	H6	109.705
O1	C2	H7	109.705	O1	C5	C4	105.502
O1	C5	H8	109.705	O1	C5	H9	109.705
C2	O1	C5	109.770	C2	C3	C4	109.613
C2	C3	H10	123.482	C3	C2	H6	112.388
C3	C2	H7	112.388	C3	C4	C5	109.613
C3	C4	H11	126.905	C4	C3	H10	126.905
C4	C5	H8	112.388	C4	C5	H9	112.388
C5	C4	H11	123.482	H6	C2	H7	107.146
H8	C5	H9	107.146

All results from a given calculation for C₄H₆O (Furan, 2,5-dihydro-)

using model chemistry: B97D3/6-31G*

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	O	-0.480
2	C	-0.048
3	C	-0.142
4	C	-0.142
5	C	-0.048
6	H	0.144
7	H	0.144
8	H	0.144
9	H	0.144
10	H	0.143
11	H	0.143

<r²>	94.850
(<r²>)^1/2	9.739

All results from a given calculation for C4H6O (Furan, 2,5-dihydro-)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for C₄H₆O (Furan, 2,5-dihydro-)