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	hartrees
Energy at 0K	-270.417535
Energy at 298.15K	-270.427255
HF Energy	-270.417535
Nuclear repulsion energy	238.489043

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3129	3104	34.56
2	A	3106	3081	5.56
3	A	3034	3010	43.59
4	A	3013	2989	46.06
5	A	2976	2952	45.63
6	A	2961	2937	20.43
7	A	2938	2914	54.39
8	A	2922	2898	39.81
9	A	1661	1647	63.90
10	A	1492	1479	0.70
11	A	1478	1467	1.22
12	A	1470	1458	1.50
13	A	1405	1393	3.31
14	A	1371	1360	6.43
15	A	1344	1333	2.14
16	A	1327	1316	5.16
17	A	1272	1261	3.08
18	A	1241	1231	50.46
19	A	1220	1210	20.97
20	A	1184	1174	3.86
21	A	1083	1074	3.43
22	A	1058	1049	76.54
23	A	1025	1016	17.85
24	A	1013	1005	1.70
25	A	911	904	6.51
26	A	892	885	0.77
27	A	876	869	8.50
28	A	862	855	10.81
29	A	813	806	7.43
30	A	742	736	2.90
31	A	717	711	18.62
32	A	496	492	3.54
33	A	481	478	1.76
34	A	430	427	13.78
35	A	273	271	0.59
36	A	177	175	2.70

Atom	x (Å)	y (Å)	z (Å)
H1	1.682	1.852	-0.184
C2	0.904	1.090	-0.079
H3	-0.715	2.426	0.096
C4	-0.409	1.377	0.060
H5	-2.321	0.544	-0.529
H6	-1.885	0.205	1.146
C7	-1.468	0.286	0.124
H8	-0.766	-1.101	-1.416
H9	-1.488	-1.918	-0.013
C10	-0.853	-1.069	-0.316
H11	1.036	-2.166	-0.025
H12	0.489	-1.227	1.397
C13	0.556	-1.226	0.291
O14	1.447	-0.171	-0.118

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	H12	C13	O14
H1		1.0941	2.4813	2.1581	4.2259	4.1483	3.5314	4.0288	4.9295	3.8701	4.0726	3.6616	3.3125	2.0379
C2	1.0941		2.1067	1.3512	3.3022	3.1726	2.5130	3.0620	3.8446	2.7938	3.2589	2.7789	2.3718	1.3736
H3	2.4813	2.1067		1.0932	2.5518	2.7205	2.2682	3.8375	4.4139	3.5216	4.9157	4.0606	3.8723	3.3862
C4	2.1581	1.3512	1.0932		2.1676	2.1756	1.5219	2.9061	3.4687	2.5143	3.8271	3.0623	2.7863	2.4235
H5	4.2259	3.3022	2.5518	2.1676		1.7641	1.1048	2.4310	2.6502	2.1912	4.3436	3.8399	3.4763	3.8575
H6	4.1483	3.1726	2.7205	2.1756	1.7641		1.1073	3.0858	2.4518	2.1970	3.9404	2.7843	2.9566	3.5840
C7	3.5314	2.5130	2.2682	1.5219	1.1048	1.1073		2.1879	2.2091	1.5517	3.5078	2.7825	2.5325	2.9607
H8	4.0288	3.0620	3.8375	2.9061	2.4310	3.0858	2.1879		1.7772	1.1035	2.5129	3.0824	2.1621	2.7286
H9	4.9295	3.8446	4.4139	3.4687	2.6502	2.4518	2.2091	1.7772		1.1034	2.5365	2.5249	2.1795	3.4179
C10	3.8701	2.7938	3.5216	2.5143	2.1912	2.1970	1.5517	1.1035	1.1034		2.2038	2.1819	1.5423	2.4772
H11	4.0726	3.2589	4.9157	3.8271	4.3436	3.9404	3.5078	2.5129	2.5365	2.2038		1.7892	1.1009	2.0387
H12	3.6616	2.7789	4.0606	3.0623	3.8399	2.7843	2.7825	3.0824	2.5249	2.1819	1.7892		1.1083	2.0808
C13	3.3125	2.3718	3.8723	2.7863	3.4763	2.9566	2.5325	2.1621	2.1795	1.5423	1.1009	1.1083		1.4407
O14	2.0379	1.3736	3.3862	2.4235	3.8575	3.5840	2.9607	2.7286	3.4179	2.4772	2.0387	2.0808	1.4407

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	123.566	H1	C2	O14	110.837
C2	C4	H3	118.673	C2	C4	C7	121.897
C2	O14	C13	114.843	H3	C4	C7	119.404
C4	C2	O14	125.595	C4	C7	H5	110.214
C4	C7	H6	110.695	C4	C7	C10	109.772
H5	C7	H6	105.781	H5	C7	C10	110.004
H6	C7	C10	110.311	C7	C10	H8	109.825
C7	C10	H9	111.496	C7	C10	C13	109.870
H8	C10	H9	107.278	H8	C10	C13	108.469
H9	C10	C13	109.823	C10	C13	H11	111.894
C10	C13	H12	109.727	C10	C13	O14	112.243
H11	C13	H12	108.172	H11	C13	O14	105.897
H12	C13	O14	108.739

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

using model chemistry: BLYP/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	0.112
2	C	0.109
3	H	0.097
4	C	-0.132
5	H	0.126
6	H	0.126
7	C	-0.258
8	H	0.137
9	H	0.119
10	C	-0.254
11	H	0.131
12	H	0.126
13	C	-0.023
14	O	-0.418

	x	y	z	Total
	-1.070	-0.568	0.251	1.238
CHELPG
AIM
ESP

	x	y	z
x	9.098	-0.248	-0.229
y	-0.248	8.902	-0.128
z	-0.229	-0.128	5.806

<r²>	143.834
(<r²>)^1/2	11.993

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

using model chemistry: BLYP/6-31G*

States and conformations

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