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	hartrees
Energy at 0K	-231.156667
Energy at 298.15K	-231.163769
HF Energy	-231.156667
Nuclear repulsion energy	174.302804

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3265	3109	7.48
2	A₁	3028	2884	5.98
3	A₁	1726	1644	0.14
4	A₁	1530	1457	2.33
5	A₁	1413	1346	4.97
6	A₁	1118	1065	1.11
7	A₁	1003	955	10.61
8	A₁	939	894	24.95
9	A₁	759	723	6.54
10	A₂	3057	2911	0.00
11	A₂	1240	1180	0.00
12	A₂	1066	1015	0.00
13	A₂	969	923	0.00
14	A₂	392	373	0.00
15	B₁	3058	2912	83.10
16	B₁	1197	1140	2.50
17	B₁	1031	982	24.14
18	B₁	690	657	45.02
19	B₁	65	62	11.62
20	B₂	3241	3086	2.93
21	B₂	3023	2879	149.25
22	B₂	1519	1447	0.58
23	B₂	1389	1323	3.52
24	B₂	1334	1271	0.06
25	B₂	1160	1105	109.57
26	B₂	929	885	0.54
27	B₂	816	777	1.49

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	1.184
C2	0.000	1.171	0.371
C3	0.000	0.664	-1.042
C4	0.000	-0.664	-1.042
C5	0.000	-1.171	0.371
H6	0.889	1.775	0.602
H7	-0.889	1.775	0.602
H8	-0.889	-1.775	0.602
H9	0.889	-1.775	0.602
H10	0.000	1.313	-1.910
H11	0.000	-1.313	-1.910

	O1	C2	C3	C4	C5	H6	H7	H8	H9	H10	H11
O1		1.4255	2.3232	2.3232	1.4255	2.0683	2.0683	2.0683	2.0683	3.3609	3.3609
C2	1.4255		1.5011	2.3159	2.3416	1.0989	1.0989	3.0851	3.0851	2.2848	3.3720
C3	2.3232	1.5011		1.3282	2.3159	2.1738	2.1738	3.0724	3.0724	1.0834	2.1592
C4	2.3232	2.3159	1.3282		1.5011	3.0724	3.0724	2.1738	2.1738	2.1592	1.0834
C5	1.4255	2.3416	2.3159	1.5011		3.0851	3.0851	1.0989	1.0989	3.3720	2.2848
H6	2.0683	1.0989	2.1738	3.0724	3.0851		1.7774	3.9692	3.5490	2.7036	4.0781
H7	2.0683	1.0989	2.1738	3.0724	3.0851	1.7774		3.5490	3.9692	2.7036	4.0781
H8	2.0683	3.0851	3.0724	2.1738	1.0989	3.9692	3.5490		1.7774	4.0781	2.7036
H9	2.0683	3.0851	3.0724	2.1738	1.0989	3.5490	3.9692	1.7774		4.0781	2.7036
H10	3.3609	2.2848	1.0834	2.1592	3.3720	2.7036	2.7036	4.0781	4.0781		2.6265
H11	3.3609	3.3720	2.1592	1.0834	2.2848	4.0781	4.0781	2.7036	2.7036	2.6265

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	C2	C3	105.060	O1	C2	H6	109.345
O1	C2	H7	109.345	O1	C5	C4	105.060
O1	C5	H8	109.345	O1	C5	H9	109.345
C2	O1	C5	110.427	C2	C3	C4	109.727
C2	C3	H10	123.464	C3	C2	H6	112.539
C3	C2	H7	112.539	C3	C4	C5	109.727
C3	C4	H11	126.810	C4	C3	H10	126.810
C4	C5	H8	112.539	C4	C5	H9	112.539
C5	C4	H11	123.464	H6	C2	H7	107.938
H8	C5	H9	107.938

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

using model chemistry: wB97X-D/6-31+G**

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	-0.365
2	C	-0.201
3	C	-0.073
4	C	-0.073
5	C	-0.201
6	H	0.147
7	H	0.147
8	H	0.147
9	H	0.147
10	H	0.163
11	H	0.163

<r²>	94.230
(<r²>)^1/2	9.707

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

using model chemistry: wB97X-D/6-31+G**

States and conformations

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