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	hartrees
Energy at 0K	-267.959755
Energy at 298.15K	-267.969632
HF Energy	-267.339248
Nuclear repulsion energy	237.011520

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3193	3095	23.25
2	A	3164	3066	2.78
3	A	3104	3009	32.11
4	A	3094	2998	27.35
5	A	3060	2966	23.93
6	A	3045	2951	11.19
7	A	3021	2928	31.67
8	A	3017	2924	29.22
9	A	1694	1642	32.10
10	A	1574	1525	2.25
11	A	1560	1512	1.46
12	A	1550	1502	2.87
13	A	1455	1410	0.38
14	A	1413	1369	4.52
15	A	1401	1358	4.89
16	A	1392	1349	7.21
17	A	1321	1281	2.67
18	A	1300	1260	23.29
19	A	1265	1226	10.56
20	A	1238	1200	5.38
21	A	1133	1098	3.99
22	A	1091	1058	85.43
23	A	1053	1021	3.09
24	A	1045	1012	8.90
25	A	965	935	0.15
26	A	918	890	1.71
27	A	901	874	8.52
28	A	862	835	16.59
29	A	814	789	2.95
30	A	774	750	13.81
31	A	742	719	16.52
32	A	507	491	5.26
33	A	486	471	2.62
34	A	441	427	18.62
35	A	280	272	0.58
36	A	166	161	6.08

Atom	x (Å)	y (Å)	z (Å)
H1	1.673	1.869	-0.190
C2	0.902	1.109	-0.079
H3	-0.722	2.427	0.094
C4	-0.405	1.386	0.060
H5	-2.326	0.555	-0.503
H6	-1.845	0.183	1.167
C7	-1.470	0.289	0.136
H8	-0.731	-1.043	-1.435
H9	-1.508	-1.909	-0.078
C10	-0.857	-1.063	-0.343
H11	1.013	-2.188	-0.005
H12	0.438	-1.232	1.404
C13	0.535	-1.252	0.307
O14	1.473	-0.184	-0.117

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	H12	C13	O14
H1		1.0876	2.4751	2.1481	4.2210	4.1305	3.5331	3.9759	4.9395	3.8754	4.1137	3.6984	3.3583	2.0638
C2	1.0876		2.0979	1.3433	3.3029	3.1558	2.5196	3.0232	3.8624	2.8079	3.2997	2.8099	2.4206	1.4143
H3	2.4751	2.0979		1.0885	2.5366	2.7290	2.2657	3.7916	4.4092	3.5195	4.9303	4.0554	3.8930	3.4169
C4	2.1481	1.3433	1.0885		2.1671	2.1788	1.5309	2.8702	3.4766	2.5223	3.8447	3.0612	2.8110	2.4539
H5	4.2210	3.3029	2.5366	2.1671		1.7770	1.1006	2.4424	2.6299	2.1911	4.3490	3.8039	3.4794	3.8890
H6	4.1305	3.1558	2.7290	2.1788	1.7770		1.1022	3.0845	2.4576	2.1932	3.8939	2.6969	2.9097	3.5769
C7	3.5331	2.5196	2.2657	1.5309	1.1006	1.1022		2.1880	2.2079	1.5597	3.5094	2.7500	2.5346	2.9914
H8	3.9759	3.0232	3.7916	2.8702	2.4424	3.0845	2.1880		1.7866	1.0991	2.5284	3.0758	2.1632	2.7072
H9	4.9395	3.8624	4.4092	3.4766	2.6299	2.4576	2.2079	1.7866		1.0995	2.5373	2.5385	2.1806	3.4439
C10	3.8754	2.8079	3.5195	2.5223	2.1911	2.1932	1.5597	1.0991	1.0995		2.2076	2.1812	1.5478	2.5000
H11	4.1137	3.2997	4.9303	3.8447	4.3490	3.8939	3.5094	2.5284	2.5373	2.2076		1.7970	1.0958	2.0586
H12	3.6984	2.8099	4.0554	3.0612	3.8039	2.6969	2.7500	3.0758	2.5385	2.1812	1.7970		1.1017	2.1172
C13	3.3583	2.4206	3.8930	2.8110	3.4794	2.9097	2.5346	2.1632	2.1806	1.5478	1.0958	1.1017		1.4828
O14	2.0638	1.4143	3.4169	2.4539	3.8890	3.5769	2.9914	2.7072	3.4439	2.5000	2.0586	2.1172	1.4828

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	123.835	H1	C2	O14	110.471
C2	C4	H3	118.865	C2	C4	C7	122.338
C2	O14	C13	113.315	H3	C4	C7	118.780
C4	C2	O14	125.689	C4	C7	H5	109.794
C4	C7	H6	110.620	C4	C7	C10	109.393
H5	C7	H6	107.551	H5	C7	C10	109.696
H6	C7	C10	109.763	C7	C10	H8	109.536
C7	C10	H9	111.072	C7	C10	C13	109.301
H8	C10	H9	108.703	H8	C10	C13	108.426
H9	C10	C13	109.756	C10	C13	H11	112.116
C10	C13	H12	109.673	C10	C13	O14	111.142
H11	C13	H12	109.720	H11	C13	O14	104.949
H12	C13	O14	109.118

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

using model chemistry: QCISD/3-21G

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

using model chemistry: QCISD/3-21G

States and conformations

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