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	hartrees
Energy at 0K	-270.483791
Energy at 298.15K	-270.493727
Nuclear repulsion energy	242.433873

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3215	3087	25.30
2	A	3193	3066	1.98
3	A	3128	3003	35.28
4	A	3110	2986	37.38
5	A	3071	2949	41.39
6	A	3056	2934	12.06
7	A	3024	2904	48.72
8	A	3019	2898	35.22
9	A	1728	1659	78.89
10	A	1499	1439	4.11
11	A	1482	1422	4.23
12	A	1468	1409	3.33
13	A	1427	1370	3.53
14	A	1395	1339	3.32
15	A	1368	1314	1.66
16	A	1345	1291	3.99
17	A	1303	1251	4.08
18	A	1280	1229	100.94
19	A	1255	1205	6.56
20	A	1208	1160	3.35
21	A	1109	1064	55.66
22	A	1099	1055	18.95
23	A	1072	1030	11.61
24	A	1037	996	3.32
25	A	960	922	14.48
26	A	952	914	0.71
27	A	919	882	21.53
28	A	885	850	1.39
29	A	862	827	4.16
30	A	763	733	13.36
31	A	742	712	17.00
32	A	507	487	8.40
33	A	489	469	1.94
34	A	447	429	12.76
35	A	279	268	0.59
36	A	185	178	2.98

Atom	x (Å)	y (Å)	z (Å)
H1	1.650	1.830	-0.204
C2	0.889	1.069	-0.085
H3	-0.699	2.389	0.103
C4	-0.405	1.348	0.068
H5	-2.294	0.538	-0.517
H6	-1.857	0.178	1.137
C7	-1.448	0.274	0.125
H8	-0.713	-1.043	-1.416
H9	-1.460	-1.898	-0.067
C10	-0.831	-1.045	-0.329
H11	1.017	-2.137	0.023
H12	0.455	-1.158	1.395
C13	0.538	-1.200	0.302
O14	1.430	-0.173	-0.117

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	H12	C13	O14
H1		1.0828	2.4338	2.1277	4.1616	4.1024	3.4825	3.9122	4.8566	3.7993	4.0238	3.5931	3.2668	2.0162
C2	1.0828		2.0733	1.3321	3.2553	3.1352	2.4776	2.9661	3.7841	2.7360	3.2109	2.7087	2.3284	1.3549
H3	2.4338	2.0733		1.0822	2.5209	2.7027	2.2440	3.7536	4.3574	3.4636	4.8418	3.9476	3.8019	3.3383
C4	2.1277	1.3321	1.0822		2.1373	2.1503	1.4988	2.8317	3.4161	2.4632	3.7651	2.9631	2.7275	2.3905
H5	4.1616	3.2553	2.5209	2.1373		1.7487	1.0937	2.4101	2.6137	2.1633	4.2914	3.7535	3.4226	3.8122
H6	4.1024	3.1352	2.7027	2.1503	1.7487		1.0962	3.0527	2.4318	2.1673	3.8553	2.6826	2.8870	3.5361
C7	3.4825	2.4776	2.2440	1.4988	1.0937	1.0962		2.1567	2.1805	1.5254	3.4508	2.6996	2.4806	2.9232
H8	3.9122	2.9661	3.7536	2.8317	2.4101	3.0527	2.1567		1.7633	1.0931	2.5025	3.0458	2.1308	2.6526
H9	4.8566	3.7841	4.3574	3.4161	2.6137	2.4318	2.1805	1.7633		1.0918	2.4909	2.5202	2.1486	3.3665
C10	3.7993	2.7360	3.4636	2.4632	2.1633	2.1673	1.5254	1.0931	1.0918		2.1763	2.1540	1.5160	2.4330
H11	4.0238	3.2109	4.8418	3.7651	4.2914	3.8553	3.4508	2.5025	2.4909	2.1763		1.7766	1.0888	2.0127
H12	3.5931	2.7087	3.9476	2.9631	3.7535	2.6826	2.6996	3.0458	2.5202	2.1540	1.7766		1.0969	2.0515
C13	3.2668	2.3284	3.8019	2.7275	3.4226	2.8870	2.4806	2.1308	2.1486	1.5160	1.0888	1.0969		1.4238
O14	2.0162	1.3549	3.3383	2.3905	3.8122	3.5361	2.9232	2.6526	3.3665	2.4330	2.0127	2.0515	1.4238

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	123.221	H1	C2	O14	111.118
C2	C4	H3	117.987	C2	C4	C7	122.021
C2	O14	C13	113.830	H3	C4	C7	119.921
C4	C2	O14	125.661	C4	C7	H5	110.078
C4	C7	H6	110.958	C4	C7	C10	109.066
H5	C7	H6	105.980	H5	C7	C10	110.286
H6	C7	C10	110.448	C7	C10	H8	109.794
C7	C10	H9	111.771	C7	C10	C13	109.292
H8	C10	H9	107.607	H8	C10	C13	108.419
H9	C10	C13	109.889	C10	C13	H11	112.296
C10	C13	H12	110.010	C10	C13	O14	111.673
H11	C13	H12	108.741	H11	C13	O14	105.690
H12	C13	O14	108.250

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

using model chemistry: B1B95/6-311G**

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	0.116
2	C	0.107
3	H	0.113
4	C	-0.259
5	H	0.138
6	H	0.138
7	C	-0.202
8	H	0.152
9	H	0.131
10	C	-0.330
11	H	0.129
12	H	0.134
13	C	-0.052
14	O	-0.314

	x	y	z	Total
	-1.129	-0.539	0.276	1.281
CHELPG
AIM
ESP

	x	y	z
x	9.305	-0.244	-0.180
y	-0.244	8.964	-0.073
z	-0.180	-0.073	6.354

<r²>	139.725
(<r²>)^1/2	11.821

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

using model chemistry: B1B95/6-311G**

States and conformations

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