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	hartrees
Energy at 0K	-270.371730
Energy at 298.15K	-270.380682
HF Energy	-270.371730
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3199	3136	8.23
2	A	3095	3035	18.61
3	A	3065	3004	49.35
4	A	3046	2986	20.22
5	A	3010	2951	61.63
6	A	2990	2932	33.07
7	A	2987	2928	45.12
8	A	2954	2896	67.91
9	A	1704	1670	48.27
10	A	1516	1486	0.21
11	A	1495	1466	0.18
12	A	1490	1461	4.97
13	A	1472	1443	6.62
14	A	1413	1385	10.87
15	A	1388	1361	8.99
16	A	1306	1280	12.73
17	A	1251	1226	34.08
18	A	1236	1211	9.84
19	A	1194	1170	7.98
20	A	1183	1160	38.76
21	A	1072	1051	0.88
22	A	1049	1029	3.02
23	A	1022	1002	13.95
24	A	998	979	23.09
25	A	963	944	37.94
26	A	920	902	15.82
27	A	894	876	18.01
28	A	841	825	4.99
29	A	698	684	12.97
30	A	685	672	11.71
31	A	624	611	0.89
32	A	536	526	2.42
33	A	328	321	2.09
34	A	214	210	6.41
35	A	161	157	2.10
36	A	92	91	1.29

Atom	x (Å)	y (Å)	z (Å)
C1	-1.369	-0.819	0.081
H2	-1.910	-1.404	-0.673
H3	-1.664	-1.168	1.083
O4	0.053	-1.103	-0.080
C5	-1.542	0.716	-0.064
H6	-2.199	1.122	0.722
H7	-1.993	0.994	-1.033
C8	-0.105	1.179	0.046
H9	0.217	2.215	0.083
C10	2.200	0.007	0.008
H11	2.557	-0.502	-0.901
H12	2.655	1.004	0.055
H13	2.548	-0.585	0.869
C14	0.710	0.110	0.001

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.0973	1.1015	1.4582	1.5516	2.2060	2.2178	2.3639	3.4233	3.6637	4.0592	4.4171	4.0022	2.2786
H2	1.0973		1.7889	2.0720	2.2367	2.9002	2.4268	3.2318	4.2654	4.3983	4.5628	5.2119	4.7877	3.1004
H3	1.1015	1.7889		2.0741	2.2093	2.3793	3.0436	3.0023	3.9981	4.1793	4.7115	4.9421	4.2577	2.9054
O4	1.4582	2.0720	2.0741		2.4193	3.2651	3.0809	2.2908	3.3264	2.4190	2.7036	3.3510	2.7197	1.3824
C5	1.5516	2.2367	2.2093	2.4193		1.1013	1.1049	1.5132	2.3154	3.8093	4.3575	4.2081	4.3921	2.3334
H6	2.2060	2.9002	2.3793	3.2651	1.1013		1.7720	2.2006	2.7272	4.5936	5.2810	4.9002	5.0464	3.1632
H7	2.2178	2.4268	3.0436	3.0809	1.1049	1.7720		2.1819	2.7601	4.4314	4.7914	4.7731	5.1701	3.0264
C8	2.3639	3.2318	3.0023	2.2908	1.5132	2.2006	2.1819		1.0860	2.5863	3.2879	2.7654	3.2906	1.3453
H9	3.4233	4.2654	3.9981	3.3264	2.3154	2.7272	2.7601	1.0860		2.9692	3.7188	2.7223	3.7273	2.1639
C10	3.6637	4.3983	4.1793	2.4190	3.8093	4.5936	4.4314	2.5863	2.9692		1.1011	1.0970	1.1010	1.4932
H11	4.0592	4.5628	4.7115	2.7036	4.3575	5.2810	4.7914	3.2879	3.7188	1.1011		1.7867	1.7716	2.1445
H12	4.4171	5.2119	4.9421	3.3510	4.2081	4.9002	4.7731	2.7654	2.7223	1.0970	1.7867		1.7879	2.1406
H13	4.0022	4.7877	4.2577	2.7197	4.3921	5.0464	5.1701	3.2906	3.7273	1.1010	1.7716	1.7879		2.1476
C14	2.2786	3.1004	2.9054	1.3824	2.3334	3.1632	3.0264	1.3453	2.1639	1.4932	2.1445	2.1406	2.1476

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	106.853	C1	C5	H6	111.413
C1	C5	H7	112.085	C1	C5	C8	100.950
H2	C1	H3	108.809	H2	C1	O4	107.724
H2	C1	C5	114.093	H3	C1	O4	107.436
H3	C1	C5	111.626	O4	C1	C5	106.859
O4	C14	C8	114.046	O4	C14	C10	114.495
C5	C8	H9	125.146	C5	C8	C14	109.359
H6	C5	H7	106.857	H6	C5	C8	113.696
H7	C5	C8	111.933	C8	C14	C10	131.454
H9	C8	C14	125.370	H11	C10	H12	108.737
H11	C10	H13	107.161	H11	C10	C14	110.552
H12	C10	H13	108.865	H12	C10	C14	110.619
H13	C10	C14	110.810

All results from a given calculation for C₅H₈O (Furan, 2,3-dihydro-5-methyl-)

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	-0.049
2	H	0.154
3	H	0.150
4	O	-0.485
5	C	-0.332
6	H	0.151
7	H	0.152
8	C	-0.238
9	H	0.128
10	C	-0.535
11	H	0.173
12	H	0.166
13	H	0.172
14	C	0.394

	x	y	z	Total
	-0.399	0.626	0.108	0.750
CHELPG
AIM
ESP

	x	y	z
x	9.988	-0.529	0.023
y	-0.529	8.394	0.005
z	0.023	0.005	5.798

<r²>	157.320
(<r²>)^1/2	12.543

All results from a given calculation for C5H8O (Furan, 2,3-dihydro-5-methyl-)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for C₅H₈O (Furan, 2,3-dihydro-5-methyl-)