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	hartrees
Energy at 0K	-268.939317
Energy at 298.15K	-268.949608
HF Energy	-268.939317
Nuclear repulsion energy	243.274357

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3357	3043	25.50
2	A	3327	3016	3.86
3	A	3245	2941	52.72
4	A	3213	2912	69.01
5	A	3188	2889	53.98
6	A	3168	2872	17.01
7	A	3152	2857	52.28
8	A	3146	2852	34.93
9	A	1853	1679	100.85
10	A	1639	1485	1.71
11	A	1618	1467	2.30
12	A	1602	1452	2.51
13	A	1560	1414	4.21
14	A	1527	1384	7.21
15	A	1498	1358	1.30
16	A	1474	1336	4.57
17	A	1411	1279	9.04
18	A	1386	1256	128.84
19	A	1359	1232	6.71
20	A	1315	1192	2.23
21	A	1208	1095	14.90
22	A	1201	1088	89.29
23	A	1135	1029	17.05
24	A	1122	1017	3.55
25	A	1089	987	0.51
26	A	1011	917	25.50
27	A	970	879	10.91
28	A	964	874	11.66
29	A	901	817	3.20
30	A	842	763	27.03
31	A	807	732	8.58
32	A	551	500	7.51
33	A	534	484	2.80
34	A	486	440	12.63
35	A	301	273	0.57
36	A	195	177	3.57

Atom	x (Å)	y (Å)	z (Å)
H1	1.749	1.719	-0.184
C2	0.950	1.015	-0.079
H3	-0.522	2.422	0.093
C4	-0.305	1.374	0.058
H5	-2.245	0.683	-0.503
H6	-1.817	0.309	1.137
C7	-1.421	0.369	0.127
H8	-0.803	-1.014	-1.398
H9	-1.573	-1.793	-0.035
C10	-0.898	-0.994	-0.319
H11	0.883	-2.189	-0.007
H12	0.408	-1.212	1.375
C13	0.466	-1.240	0.292
O14	1.395	-0.257	-0.119

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	H12	C13	O14
H1		1.0705	2.3942	2.0969	4.1393	4.0560	3.4595	3.9316	4.8370	3.7936	4.0071	3.5802	3.2604	2.0087
C2	1.0705		2.0443	1.3122	3.2405	3.1034	2.4656	2.9881	3.7753	2.7406	3.2057	2.7137	2.3360	1.3484
H3	2.3942	2.0443		1.0717	2.5201	2.6895	2.2417	3.7563	4.3467	3.4621	4.8224	3.9647	3.7992	3.3021
C4	2.0969	1.3122	1.0717		2.1350	2.1413	1.5032	2.8404	3.4129	2.4703	3.7566	2.9881	2.7355	2.3626
H5	4.1393	3.2405	2.5201	2.1350		1.7358	1.0844	2.3997	2.6082	2.1589	4.2759	3.7628	3.4181	3.7797
H6	4.0560	3.1034	2.6895	2.1413	1.7358		1.0864	3.0334	2.4189	2.1585	3.8522	2.7056	2.8855	3.4951
C7	3.4595	2.4656	2.2417	1.5032	1.0844	1.0864		2.1492	2.1738	1.5264	3.4454	2.7205	2.4854	2.8952
H8	3.9316	2.9881	3.7563	2.8404	2.3997	3.0334	2.1492		1.7488	1.0839	2.4821	3.0325	2.1256	2.6536
H9	4.8370	3.7753	4.3467	3.4129	2.6082	2.4189	2.1738	1.7488		1.0834	2.4880	2.5002	2.1380	3.3433
C10	3.7936	2.7406	3.4621	2.4703	2.1589	2.1585	1.5264	1.0839	1.0834		2.1678	2.1500	1.5151	2.4176
H11	4.0071	3.2057	4.8224	3.7566	4.2759	3.8522	3.4454	2.4821	2.4880	2.1678		1.7580	1.0788	2.0020
H12	3.5802	2.7137	3.9647	2.9881	3.7628	2.7056	2.7205	3.0325	2.5002	2.1500	1.7580		1.0850	2.0291
C13	3.2604	2.3360	3.7992	2.7355	3.4181	2.8855	2.4854	2.1256	2.1380	1.5151	1.0788	1.0850		1.4137
O14	2.0087	1.3484	3.3021	2.3626	3.7797	3.4951	2.8952	2.6536	3.3433	2.4176	2.0020	2.0291	1.4137

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	122.977	H1	C2	O14	111.775
C2	C4	H3	117.730	C2	C4	C7	122.122
C2	O14	C13	115.483	H3	C4	C7	120.127
C4	C2	O14	125.245	C4	C7	H5	110.148
C4	C7	H6	110.528	C4	C7	C10	109.249
H5	C7	H6	106.191	H5	C7	C10	110.423
H6	C7	C10	110.272	C7	C10	H8	109.678
C7	C10	H9	111.679	C7	C10	C13	109.607
H8	C10	H9	107.591	H8	C10	C13	108.608
H9	C10	C13	109.609	C10	C13	H11	112.294
C10	C13	H12	110.472	C10	C13	O14	111.223
H11	C13	H12	108.677	H11	C13	O14	106.097
H12	C13	O14	107.878

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

using model chemistry: HF/Def2TZVPP

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	0.079
2	C	0.128
3	H	0.067
4	C	-0.206
5	H	0.052
6	H	0.044
7	C	-0.011
8	H	0.048
9	H	0.047
10	C	-0.091
11	H	0.060
12	H	0.037
13	C	0.142
14	O	-0.395

	x	y	z	Total
	-1.217	-0.451	0.317	1.336
CHELPG
AIM
ESP

	x	y	z
x	9.419	-0.267	-0.131
y	-0.267	8.843	-0.031
z	-0.131	-0.031	6.828

<r²>	139.593
(<r²>)^1/2	11.815

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

using model chemistry: HF/Def2TZVPP

States and conformations

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