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	hartrees
Energy at 0K	-265.521798
Energy at 298.15K	-265.531850
Nuclear repulsion energy	239.813803

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3737	3052	4.03
2	A	3737	3051	2.91
3	A	3703	3024	1.98
4	A	3695	3017	18.36
5	A	3691	3013	3.40
6	A	3617	2953	1.11
7	A	3592	2933	4.09
8	A	3567	2912	8.37
9	A	2076	1695	44.27
10	A	1830	1494	0.05
11	A	1812	1480	1.61
12	A	1806	1475	0.92
13	A	1692	1382	5.24
14	A	1683	1374	18.72
15	A	1670	1363	5.53
16	A	1596	1303	16.67
17	A	1511	1234	2.38
18	A	1486	1213	8.59
19	A	1469	1199	15.45
20	A	1400	1143	3.75
21	A	1334	1089	13.83
22	A	1301	1062	3.28
23	A	1253	1023	5.37
24	A	1186	968	2.61
25	A	1171	956	0.43
26	A	1096	895	5.62
27	A	1071	874	8.07
28	A	1049	856	0.96
29	A	990	809	1.62
30	A	889	726	3.78
31	A	842	688	4.37
32	A	580	473	1.46
33	A	554	452	1.62
34	A	488	399	9.89
35	A	296	241	0.82
36	A	187	153	3.36

Atom	x (Å)	y (Å)	z (Å)
H1	1.613	1.889	-0.149
C2	0.867	1.101	-0.067
H3	-0.750	2.386	0.097
C4	-0.415	1.360	0.053
H5	-2.308	0.513	-0.526
H6	-1.862	0.181	1.135
C7	-1.468	0.265	0.121
H8	-0.762	-1.112	-1.399
H9	-1.452	-1.916	0.006
C10	-0.842	-1.076	-0.315
H11	1.037	-2.146	0.000
H12	0.494	-1.194	1.393
C13	0.571	-1.203	0.299
O14	1.464	-0.160	-0.137

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	H12	C13	O14
H1		1.0878	2.4270	2.1056	4.1721	4.0791	3.4935	4.0261	4.8887	3.8528	4.0785	3.6238	3.2932	2.0548
C2	1.0878		2.0720	1.3138	3.2617	3.1207	2.4879	3.0542	3.8067	2.7789	3.2520	2.7451	2.3514	1.3970
H3	2.4270	2.0720		1.0802	2.5144	2.6783	2.2397	3.8044	4.3599	3.4874	4.8722	4.0050	3.8293	3.3820
C4	2.1056	1.3138	1.0802		2.1527	2.1570	1.5208	2.8876	3.4366	2.5000	3.7948	3.0238	2.7568	2.4242
H5	4.1721	3.2617	2.5144	2.1527		1.7516	1.0889	2.4066	2.6299	2.1723	4.3054	3.8011	3.4516	3.8509
H6	4.0791	3.1207	2.6783	2.1570	1.7516		1.0907	3.0498	2.4166	2.1731	3.8865	2.7401	2.9212	3.5767
C7	3.4935	2.4879	2.2397	1.5208	1.0889	1.0907		2.1688	2.1838	1.5424	3.4786	2.7560	2.5186	2.9737
H8	4.0261	3.0542	3.8044	2.8876	2.4066	3.0498	2.1688		1.7600	1.0876	2.5031	3.0627	2.1607	2.7302
H9	4.8887	3.8067	4.3599	3.4366	2.6299	2.4166	2.1838	1.7600		1.0871	2.5002	2.4970	2.1656	3.4070
C10	3.8528	2.7789	3.4874	2.5000	2.1723	2.1731	1.5424	1.0876	1.0871		2.1851	2.1716	1.5457	2.4871
H11	4.0785	3.2520	4.8722	3.7948	4.3054	3.8865	3.4786	2.5031	2.5002	2.1851		1.7718	1.0933	2.0354
H12	3.6238	2.7451	4.0050	3.0238	3.8011	2.7401	2.7560	3.0627	2.4970	2.1716	1.7718		1.0967	2.0850
C13	3.2932	2.3514	3.8293	2.7568	3.4516	2.9212	2.5186	2.1607	2.1656	1.5457	1.0933	1.0967		1.4398
O14	2.0548	1.3970	3.3820	2.4242	3.8509	3.5767	2.9737	2.7302	3.4070	2.4871	2.0354	2.0850	1.4398

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	122.222	H1	C2	O14	110.961
C2	C4	H3	119.562	C2	C4	C7	122.557
C2	O14	C13	111.961	H3	C4	C7	117.879
C4	C2	O14	126.802	C4	C7	H5	110.048
C4	C7	H6	110.281	C4	C7	C10	109.395
H5	C7	H6	106.951	H5	C7	C10	110.094
H6	C7	C10	110.047	C7	C10	H8	109.891
C7	C10	H9	111.108	C7	C10	C13	109.284
H8	C10	H9	108.051	H8	C10	C13	109.034
H9	C10	C13	109.438	C10	C13	H11	110.615
C10	C13	H12	109.352	C10	C13	O14	112.778
H11	C13	H12	108.000	H11	C13	O14	106.128
H12	C13	O14	109.828

All results from a given calculation for C₅H₈O (2H-Pyran, 3,4-dihydro-)

using model chemistry: HF/STO-3G

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	0.070
2	C	0.048
3	H	0.060
4	C	-0.104
5	H	0.062
6	H	0.058
7	C	-0.106
8	H	0.063
9	H	0.061
10	C	-0.110
11	H	0.068
12	H	0.056
13	C	0.012
14	O	-0.240

	x	y	z	Total
	-1.164	-0.232	0.352	1.238
CHELPG
AIM
ESP

	x	y	z
x	5.233	-0.259	-0.222
y	-0.259	4.910	-0.083
z	-0.222	-0.083	2.684

<r²>	141.394
(<r²>)^1/2	11.891

All results from a given calculation for C5H8O (2H-Pyran, 3,4-dihydro-)

using model chemistry: HF/STO-3G

States and conformations

All results from a given calculation for C₅H₈O (2H-Pyran, 3,4-dihydro-)