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	hartrees
Energy at 0K	-231.112442
Energy at 298.15K	-231.119675
HF Energy	-230.821051
Nuclear repulsion energy	174.551638

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3273	3140	5.58
2	A	3247	3115	1.81
3	A	3140	3013	29.72
4	A	3096	2970	28.91
5	A	3061	2937	41.70
6	A	3040	2917	39.69
7	A	1671	1603	55.71
8	A	1532	1470	0.59
9	A	1509	1448	0.52
10	A	1414	1357	2.86
11	A	1335	1281	1.14
12	A	1315	1261	7.98
13	A	1256	1205	10.66
14	A	1219	1170	8.74
15	A	1168	1120	53.26
16	A	1096	1051	32.83
17	A	1080	1036	27.81
18	A	1010	969	5.17
19	A	943	905	12.81
20	A	938	900	39.97
21	A	925	888	4.30
22	A	852	818	5.42
23	A	840	806	6.85
24	A	723	693	39.89
25	A	683	655	2.01
26	A	461	442	19.65
27	A	123	118	1.23

Atom	x (Å)	y (Å)	z (Å)
H1	1.038	2.069	0.060
C2	0.568	1.102	0.032
H3	2.254	-0.284	0.014
C4	1.199	-0.067	0.007
O5	0.395	-1.168	-0.050
H6	-1.344	1.219	-0.981
H7	-1.471	1.322	0.767
C8	-0.918	0.852	-0.045
H9	-1.544	-1.152	-0.747
H10	-1.366	-1.023	1.011
C11	-0.971	-0.688	0.052

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0752	2.6498	2.1430	3.3027	2.7349	2.7119	2.3060	4.2062	4.0299	3.4117
C2	1.0752		2.1831	1.3289	2.2789	2.1673	2.1792	1.5091	3.1859	3.0354	2.3615
H3	2.6498	2.1831		1.0773	2.0596	4.0245	4.1266	3.3699	3.9693	3.8264	3.2512
C4	2.1430	1.3289	1.0773		1.3648	3.0159	3.1049	2.3083	3.0443	2.9154	2.2582
O5	3.3027	2.2789	2.0596	1.3648		3.0967	3.2180	2.4095	2.0602	2.0607	1.4524
H6	2.7349	2.1673	4.0245	3.0159	3.0967		1.7556	1.0917	2.3907	2.9984	2.2001
H7	2.7119	2.1792	4.1266	3.1049	3.2180	1.7556		1.0897	2.9016	2.3599	2.1913
C8	2.3060	1.5091	3.3699	2.3083	2.4095	1.0917	1.0897		2.2136	2.1975	1.5438
H9	4.2062	3.1859	3.9693	3.0443	2.0602	2.3907	2.9016	2.2136		1.7710	1.0866
H10	4.0299	3.0354	3.8264	2.9154	2.0607	2.9984	2.3599	2.1975	1.7710		1.0892
C11	3.4117	2.3615	3.2512	2.2582	1.4524	2.2001	2.1913	1.5438	1.0866	1.0892

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.772	H1	C2	C8	125.492
C2	C4	H3	129.965	C2	C4	O5	115.553
C2	C8	H6	111.880	C2	C8	H7	112.985
C2	C8	C11	101.341	H3	C4	O5	114.480
C4	C2	C8	108.686	C4	O5	C11	106.522
O5	C11	C8	107.027	O5	C11	H9	107.604
O5	C11	H10	107.493	H6	C8	H7	107.186
H6	C8	C11	112.052	H7	C8	C11	111.464
C8	C11	H9	113.468	C8	C11	H10	111.998
H9	C11	H10	108.973

All results from a given calculation for C₄H₆O (Furan, 2,3-dihydro-)

using model chemistry: B2PLYP/cc-pVTZ

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	H	0.144
2	C	-0.258
3	H	0.148
4	C	0.019
5	O	-0.297
6	H	0.098
7	H	0.099
8	C	-0.161
9	H	0.093
10	H	0.079
11	C	0.035

	x	y	z
x	7.667	-0.184	0.037
y	-0.184	7.692	-0.019
z	0.037	-0.019	5.234

<r²>	93.948
(<r²>)^1/2	9.693

All results from a given calculation for C4H6O (Furan, 2,3-dihydro-)

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

All results from a given calculation for C₄H₆O (Furan, 2,3-dihydro-)