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	hartrees
Energy at 0K	-270.467599
Energy at 298.15K	-270.477407
HF Energy	-270.467599
Nuclear repulsion energy	240.370785

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3150	3104	27.32
2	A	3129	3084	2.79
3	A	3058	3014	39.30
4	A	3037	2993	43.72
5	A	2999	2956	49.66
6	A	2987	2944	12.86
7	A	2956	2913	56.89
8	A	2948	2905	35.73
9	A	1659	1635	76.45
10	A	1476	1455	2.76
11	A	1462	1441	4.08
12	A	1452	1431	2.10
13	A	1400	1380	2.35
14	A	1369	1349	3.32
15	A	1340	1321	1.51
16	A	1326	1307	3.79
17	A	1276	1258	2.80
18	A	1242	1224	53.15
19	A	1223	1205	26.47
20	A	1188	1170	3.55
21	A	1083	1067	4.21
22	A	1062	1047	83.51
23	A	1032	1017	22.37
24	A	1019	1004	3.24
25	A	920	906	7.87
26	A	901	888	0.94
27	A	880	867	15.21
28	A	868	855	9.30
29	A	821	809	8.71
30	A	746	735	3.76
31	A	717	706	30.49
32	A	504	497	4.04
33	A	489	482	1.80
34	A	438	431	14.83
35	A	275	271	0.48
36	A	175	173	2.71

Atom	x (Å)	y (Å)	z (Å)
H1	1.687	1.822	-0.202
C2	0.910	1.072	-0.082
H3	-0.677	2.415	0.088
C4	-0.390	1.368	0.062
H5	-2.301	0.573	-0.511
H6	-1.855	0.213	1.149
C7	-1.451	0.301	0.129
H8	-0.763	-1.057	-1.418
H9	-1.501	-1.882	-0.038
C10	-0.858	-1.042	-0.325
H11	0.994	-2.165	-0.025
H12	0.455	-1.219	1.389
C13	0.524	-1.230	0.290
O14	1.444	-0.189	-0.109

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	H12	C13	O14
H1		1.0869	2.4544	2.1420	4.1899	4.1183	3.5024	3.9706	4.8902	3.8333	4.0508	3.6466	3.3026	2.0274
C2	1.0869		2.0863	1.3407	3.2772	3.1459	2.4920	3.0188	3.8134	2.7663	3.2384	2.7599	2.3628	1.3690
H3	2.4544	2.0863		1.0865	2.5277	2.7136	2.2521	3.7855	4.3780	3.4868	4.8774	4.0228	3.8434	3.3642
C4	2.1420	1.3407	1.0865		2.1474	2.1592	1.5061	2.8649	3.4366	2.4854	3.7955	3.0276	2.7632	2.4113
H5	4.1899	3.2772	2.5277	2.1474		1.7559	1.0983	2.4173	2.6253	2.1736	4.3118	3.7966	3.4458	3.8424
H6	4.1183	3.1459	2.7136	2.1592	1.7559		1.1010	3.0651	2.4344	2.1779	3.8929	2.7285	2.9123	3.5536
C7	3.5024	2.4920	2.2521	1.5061	1.0983	1.1010		2.1698	2.1901	1.5363	3.4759	2.7437	2.5037	2.9451
H8	3.9706	3.0188	3.7855	2.8649	2.4173	3.0651	2.1698		1.7696	1.0971	2.5015	3.0641	2.1462	2.7086
H9	4.8902	3.8134	4.3780	3.4366	2.6253	2.4344	2.1901	1.7696		1.0966	2.5117	2.5107	2.1536	3.3983
C10	3.8333	2.7663	3.4868	2.4854	2.1736	2.1779	1.5363	1.0971	1.0966		2.1870	2.1664	1.5249	2.4646
H11	4.0508	3.2384	4.8774	3.7955	4.3118	3.8929	3.4759	2.5015	2.5117	2.1870		1.7848	1.0934	2.0289
H12	3.6466	2.7599	4.0228	3.0276	3.7966	2.7285	2.7437	3.0641	2.5107	2.1664	1.7848		1.1008	2.0699
C13	3.3026	2.3628	3.8434	2.7632	3.4458	2.9123	2.5037	2.1462	2.1536	1.5249	1.0934	1.1008		1.4454
O14	2.0274	1.3690	3.3642	2.4113	3.8424	3.5536	2.9451	2.7086	3.3983	2.4646	2.0289	2.0699	1.4454

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	123.525	H1	C2	O14	110.758
C2	C4	H3	118.156	C2	C4	C7	122.066
C2	O14	C13	114.163	H3	C4	C7	119.727
C4	C2	O14	125.715	C4	C7	H5	110.099
C4	C7	H6	110.871	C4	C7	C10	109.545
H5	C7	H6	105.958	H5	C7	C10	110.069
H6	C7	C10	110.249	C7	C10	H8	109.839
C7	C10	H9	111.481	C7	C10	C13	109.744
H8	C10	H9	107.549	H8	C10	C13	108.782
H9	C10	C13	109.383	C10	C13	H11	112.233
C10	C13	H12	110.146	C10	C13	O14	112.115
H11	C13	H12	108.866	H11	C13	O14	105.258
H12	C13	O14	108.009

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

using model chemistry: B97D3/TZVP

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	0.086
2	C	-0.018
3	H	0.111
4	C	-0.196
5	H	0.114
6	H	0.105
7	C	-0.157
8	H	0.117
9	H	0.113
10	C	-0.233
11	H	0.124
12	H	0.102
13	C	-0.080
14	O	-0.188

	x	y	z	Total
	-1.242	-0.626	0.268	1.416
CHELPG
AIM
ESP

	x	y	z
x	10.089	-0.265	-0.158
y	-0.265	9.740	-0.077
z	-0.158	-0.077	7.199

<r²>	142.175
(<r²>)^1/2	11.924

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

using model chemistry: B97D3/TZVP

States and conformations

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