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	hartrees
Energy at 0K	-269.755282
Energy at 298.15K
HF Energy	-268.844518
Nuclear repulsion energy	241.478553

Atom	x (Å)	y (Å)	z (Å)
H1	1.643	1.850	-0.181
C2	0.886	1.086	-0.079
H3	-0.729	2.390	0.101
C4	-0.418	1.357	0.060
H5	-2.301	0.515	-0.521
H6	-1.858	0.174	1.137
C7	-1.457	0.266	0.124
H8	-0.726	-1.075	-1.407
H9	-1.451	-1.907	-0.035
C10	-0.829	-1.059	-0.322
H11	1.034	-2.133	-0.002
H12	0.475	-1.190	1.389
C13	0.556	-1.203	0.297
O14	1.436	-0.163	-0.121

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	H12	C13	O14
H1		1.0807	2.4486	2.1327	4.1780	4.0998	3.4947	3.9592	4.8699	3.8206	4.0335	3.6155	3.2765	2.0250
C2	1.0807		2.0835	1.3389	3.2681	3.1372	2.4906	3.0057	3.7979	2.7572	3.2230	2.7389	2.3431	1.3651
H3	2.4486	2.0835		1.0798	2.5249	2.6950	2.2456	3.7791	4.3599	3.4762	4.8556	3.9906	3.8211	3.3544
C4	2.1327	1.3389	1.0798		2.1434	2.1528	1.5080	2.8572	3.4252	2.4802	3.7803	3.0079	2.7491	2.4036
H5	4.1780	3.2681	2.5249	2.1434		1.7492	1.0911	2.4073	2.6127	2.1639	4.2903	3.7766	3.4327	3.8188
H6	4.0998	3.1372	2.6950	2.1528	1.7492		1.0933	3.0518	2.4226	2.1691	3.8710	2.7145	2.9033	3.5419
C7	3.4947	2.4906	2.2456	1.5080	1.0911	1.0933		2.1627	2.1792	1.5322	3.4608	2.7301	2.4979	2.9343
H8	3.9592	3.0057	3.7791	2.8572	2.4073	3.0518	2.1627		1.7612	1.0906	2.4888	3.0460	2.1367	2.6759
H9	4.8699	3.7979	4.3599	3.4252	2.6127	2.4226	2.1792	1.7612		1.0903	2.4961	2.5011	2.1528	3.3739
C10	3.8206	2.7572	3.4762	2.4802	2.1639	2.1691	1.5322	1.0906	1.0903		2.1749	2.1558	1.5242	2.4441
H11	4.0335	3.2230	4.8556	3.7803	4.2903	3.8710	3.4608	2.4888	2.4961	2.1749		1.7714	1.0876	2.0137
H12	3.6155	2.7389	3.9906	3.0079	3.7766	2.7145	2.7301	3.0460	2.5011	2.1558	1.7714		1.0952	2.0630
C13	3.2765	2.3431	3.8211	2.7491	3.4327	2.9033	2.4979	2.1367	2.1528	1.5242	1.0876	1.0952		1.4249
O14	2.0250	1.3651	3.3544	2.4036	3.8188	3.5419	2.9343	2.6759	3.3739	2.4441	2.0137	2.0630	1.4249

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	123.274	H1	C2	O14	111.250
C2	C4	H3	118.558	C2	C4	C7	121.941
C2	O14	C13	114.223	H3	C4	C7	119.480
C4	C2	O14	125.474	C4	C7	H5	110.078
C4	C7	H6	110.691	C4	C7	C10	109.333
H5	C7	H6	106.401	H5	C7	C10	110.013
H6	C7	C10	110.291	C7	C10	H8	109.952
C7	C10	H9	111.279	C7	C10	C13	109.626
H8	C10	H9	107.717	H8	C10	C13	108.465
H9	C10	C13	109.740	C10	C13	H11	111.668
C10	C13	H12	109.693	C10	C13	O14	111.897
H11	C13	H12	108.495	H11	C13	O14	105.760
H12	C13	O14	109.195

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

using model chemistry: MP3/6-31+G**

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: MP3/6-31+G**

States and conformations

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