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	hartrees
Energy at 0K	-268.754386
Energy at 298.15K	-268.764606
Nuclear repulsion energy	240.148147

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3450	3104	29.88
2	A	3395	3055	11.13
3	A	3340	3006	54.18
4	A	3282	2954	90.12
5	A	3251	2925	49.45
6	A	3235	2912	61.29
7	A	3224	2901	36.90
8	A	3199	2879	59.82
9	A	1845	1660	80.51
10	A	1662	1496	3.09
11	A	1648	1483	4.99
12	A	1638	1474	5.19
13	A	1552	1396	1.23
14	A	1528	1375	4.63
15	A	1509	1358	0.11
16	A	1491	1342	10.13
17	A	1406	1265	4.54
18	A	1384	1246	81.72
19	A	1365	1228	28.27
20	A	1322	1189	3.36
21	A	1223	1101	8.82
22	A	1193	1073	118.46
23	A	1165	1049	7.24
24	A	1122	1010	6.07
25	A	1105	994	0.24
26	A	1002	902	8.94
27	A	984	886	7.69
28	A	945	851	40.25
29	A	887	798	8.38
30	A	847	763	37.17
31	A	807	727	12.02
32	A	550	495	11.21
33	A	530	477	4.72
34	A	484	436	21.95
35	A	288	259	0.96
36	A	180	162	8.64

Atom	x (Å)	y (Å)	z (Å)
H1	1.959	1.532	-0.182
C2	1.079	0.933	-0.078
H3	-0.280	2.490	0.078
C4	-0.152	1.426	0.052
H5	-2.165	0.936	-0.489
H6	-1.762	0.522	1.151
C7	-1.375	0.534	0.135
H8	-0.950	-0.929	-1.399
H9	-1.793	-1.598	-0.021
C10	-1.023	-0.896	-0.318
H11	0.632	-2.295	-0.075
H12	0.269	-1.347	1.363
C13	0.320	-1.328	0.280
O14	1.376	-0.416	-0.106

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	H12	C13	O14
H1		1.0694	2.4493	2.1266	4.1780	4.0792	3.4943	3.9997	4.8886	3.8473	4.0518	3.6781	3.3279	2.0342
C2	1.0694		2.0726	1.3323	3.2697	3.1223	2.4951	3.0542	3.8285	2.7963	3.2591	2.8162	2.4114	1.3813
H3	2.4493	2.0726		1.0723	2.5083	2.6872	2.2425	3.7847	4.3605	3.4895	4.8742	4.0838	3.8698	3.3495
C4	2.1266	1.3323	1.0723		2.1411	2.1485	1.5158	2.8789	3.4413	2.5073	3.8052	3.0962	2.8029	2.3980
H5	4.1780	3.2697	2.5083	2.1411		1.7388	1.0843	2.4047	2.6035	2.1656	4.2938	3.8169	3.4478	3.8092
H6	4.0792	3.1223	2.6872	2.1485	1.7388		1.0867	3.0443	2.4225	2.1716	3.8953	2.7683	2.9175	3.5074
C7	3.4943	2.4951	2.2425	1.5158	1.0843	1.0867		2.1626	2.1785	1.5413	3.4756	2.7838	2.5216	2.9200
H8	3.9997	3.0542	3.7847	2.8789	2.4047	3.0443	2.1626		1.7489	1.0839	2.4745	3.0484	2.1425	2.7103
H9	4.8886	3.8285	4.3605	3.4413	2.6035	2.4225	2.1785	1.7489		1.0839	2.5243	2.4965	2.1512	3.3833
C10	3.8473	2.7963	3.4895	2.5073	2.1656	2.1716	1.5413	1.0839	1.0839		2.1809	2.1680	1.5316	2.4552
H11	4.0518	3.2591	4.8742	3.8052	4.2938	3.8953	3.4756	2.4745	2.5243	2.1809		1.7609	1.0774	2.0216
H12	3.6781	2.8162	4.0838	3.0962	3.8169	2.7683	2.7838	3.0484	2.4965	2.1680	1.7609		1.0846	2.0612
C13	3.3279	2.4114	3.8698	2.8029	3.4478	2.9175	2.5216	2.1425	2.1512	1.5316	1.0774	1.0846		1.4476
O14	2.0342	1.3813	3.3495	2.3980	3.8092	3.5074	2.9200	2.7103	3.3833	2.4552	2.0216	2.0612	1.4476

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	124.247	H1	C2	O14	111.573
C2	C4	H3	118.665	C2	C4	C7	122.214
C2	O14	C13	116.934	H3	C4	C7	119.110
C4	C2	O14	124.178	C4	C7	H5	109.756
C4	C7	H6	110.206	C4	C7	C10	110.199
H5	C7	H6	106.443	H5	C7	C10	109.922
H6	C7	C10	110.247	C7	C10	H8	109.705
C7	C10	H9	110.961	C7	C10	C13	110.287
H8	C10	H9	107.556	H8	C10	C13	108.794
H9	C10	C13	109.471	C10	C13	H11	112.248
C10	C13	H12	110.766	C10	C13	O14	110.970
H11	C13	H12	109.073	H11	C13	O14	105.441
H12	C13	O14	108.128

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

using model chemistry: HF/LANL2DZ

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	0.217
2	C	0.038
3	H	0.199
4	C	-0.265
5	H	0.183
6	H	0.174
7	C	-0.308
8	H	0.185
9	H	0.177
10	C	-0.357
11	H	0.190
12	H	0.163
13	C	-0.096
14	O	-0.500

	x	y	z	Total
	-1.974	-0.102	0.462	2.030
CHELPG
AIM
ESP

	x	y	z
x	8.382	-0.482	-0.270
y	-0.482	7.808	-0.022
z	-0.270	-0.022	5.382

<r²>	142.904
(<r²>)^1/2	11.954

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

using model chemistry: HF/LANL2DZ

States and conformations

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