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	hartrees
Energy at 0K	-270.196566
Energy at 298.15K	-270.206317
Nuclear repulsion energy	239.748091

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3148	3103	28.61
2	A	3127	3082	3.48
3	A	3051	3008	36.36
4	A	3041	2998	34.49
5	A	2998	2955	40.76
6	A	2985	2942	11.51
7	A	2951	2909	53.01
8	A	2944	2902	34.42
9	A	1679	1655	68.08
10	A	1479	1458	1.81
11	A	1466	1445	2.69
12	A	1455	1434	1.94
13	A	1400	1380	2.89
14	A	1366	1347	4.90
15	A	1340	1321	2.06
16	A	1318	1299	4.66
17	A	1272	1254	2.75
18	A	1247	1229	77.72
19	A	1226	1208	9.49
20	A	1180	1163	4.18
21	A	1078	1062	4.63
22	A	1072	1057	66.45
23	A	1048	1033	8.27
24	A	1014	1000	2.20
25	A	932	919	6.92
26	A	893	880	19.32
27	A	892	879	1.05
28	A	866	853	0.99
29	A	835	823	5.28
30	A	743	732	2.69
31	A	717	706	22.09
32	A	496	489	4.65
33	A	481	474	1.75
34	A	433	427	14.73
35	A	275	272	0.65
36	A	180	178	2.66

Atom	x (Å)	y (Å)	z (Å)
H1	1.626	1.886	-0.205
C2	0.870	1.104	-0.083
H3	-0.775	2.397	0.094
C4	-0.447	1.354	0.066
H5	-2.330	0.482	-0.525
H6	-1.885	0.139	1.148
C7	-1.468	0.244	0.126
H8	-0.716	-1.088	-1.426
H9	-1.429	-1.949	-0.040
C10	-0.817	-1.076	-0.325
H11	1.085	-2.130	-0.012
H12	0.502	-1.189	1.401
C13	0.575	-1.203	0.294
O14	1.455	-0.136	-0.113

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	H12	C13	O14
H1		1.0948	2.4726	2.1573	4.2104	4.1485	3.5178	3.9769	4.9063	3.8410	4.0572	3.6467	3.3006	2.0310
C2	1.0948		2.0998	1.3487	3.2900	3.1681	2.4992	3.0195	3.8222	2.7664	3.2419	2.7560	2.3556	1.3708
H3	2.4726	2.0998		1.0940	2.5438	2.7282	2.2617	3.8022	4.3976	3.4981	4.8956	4.0250	3.8499	3.3806
C4	2.1573	1.3487	1.0940		2.1580	2.1712	1.5086	2.8737	3.4477	2.4882	3.8067	3.0247	2.7627	2.4222
H5	4.2104	3.2900	2.5438	2.1580		1.7654	1.1067	2.4256	2.6380	2.1810	4.3303	3.8114	3.4574	3.8575
H6	4.1485	3.1681	2.7282	2.1712	1.7654		1.1094	3.0819	2.4461	2.1881	3.9136	2.7434	2.9296	3.5805
C7	3.5178	2.4992	2.2617	1.5086	1.1067	1.1094		2.1789	2.2004	1.5392	3.4889	2.7497	2.5091	2.9567
H8	3.9769	3.0195	3.8022	2.8737	2.4256	3.0819	2.1789		1.7806	1.1050	2.5151	3.0795	2.1536	2.7094
H9	4.9063	3.8222	4.3976	3.4477	2.6380	2.4461	2.2004	1.7806		1.1044	2.5206	2.5272	2.1651	3.4077
C10	3.8410	2.7664	3.4981	2.4882	2.1810	2.1881	1.5392	1.1050	1.1044		2.1971	2.1757	1.5293	2.4677
H11	4.0572	3.2419	4.8956	3.8067	4.3303	3.9136	3.4889	2.5151	2.5206	2.1971		1.7952	1.1018	2.0312
H12	3.6467	2.7560	4.0250	3.0247	3.8114	2.7434	2.7497	3.0795	2.5272	2.1757	1.7952		1.1091	2.0756
C13	3.3006	2.3556	3.8499	2.7627	3.4574	2.9296	2.5091	2.1536	2.1651	1.5293	1.1018	1.1091		1.4415
O14	2.0310	1.3708	3.3806	2.4222	3.8575	3.5805	2.9567	2.7094	3.4077	2.4677	2.0312	2.0756	1.4415

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	123.655	H1	C2	O14	110.425
C2	C4	H3	118.173	C2	C4	C7	121.913
C2	O14	C13	113.757	H3	C4	C7	119.843
C4	C2	O14	125.920	C4	C7	H5	110.259
C4	C7	H6	111.147	C4	C7	C10	109.449
H5	C7	H6	105.614	H5	C7	C10	109.958
H6	C7	C10	110.359	C7	C10	H8	109.891
C7	C10	H9	111.628	C7	C10	C13	109.714
H8	C10	H9	107.396	H8	C10	C13	108.607
H9	C10	C13	109.532	C10	C13	H11	112.222
C10	C13	H12	110.085	C10	C13	O14	112.302
H11	C13	H12	108.572	H11	C13	O14	105.216
H12	C13	O14	108.227

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

using model chemistry: PBEPBE/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	H	0.144
2	C	0.083
3	H	0.133
4	C	-0.176
5	H	0.160
6	H	0.158
7	C	-0.324
8	H	0.170
9	H	0.153
10	C	-0.327
11	H	0.162
12	H	0.155
13	C	-0.085
14	O	-0.407

	x	y	z	Total
	-1.046	-0.589	0.241	1.224
CHELPG
AIM
ESP

	x	y	z
x	9.084	-0.244	-0.228
y	-0.244	8.840	-0.126
z	-0.228	-0.126	5.824

<r²>	142.286
(<r²>)^1/2	11.928

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

using model chemistry: PBEPBE/6-31G*

States and conformations

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