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	hartrees
Energy at 0K	-270.461402
Energy at 298.15K	-270.471333
Nuclear repulsion energy	241.088864

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3217	3104	21.42
2	A	3195	3083	1.92
3	A	3120	3011	33.79
4	A	3107	2998	33.41
5	A	3067	2959	37.10
6	A	3050	2943	11.78
7	A	3017	2911	49.19
8	A	3012	2906	37.88
9	A	1731	1670	78.79
10	A	1475	1424	3.30
11	A	1459	1408	4.86
12	A	1444	1394	1.89
13	A	1418	1369	4.40
14	A	1387	1339	5.95
15	A	1365	1317	1.66
16	A	1335	1288	4.84
17	A	1292	1246	2.54
18	A	1273	1228	103.14
19	A	1251	1207	3.17
20	A	1198	1156	4.11
21	A	1106	1068	51.11
22	A	1093	1055	17.44
23	A	1076	1038	10.50
24	A	1035	999	3.00
25	A	960	927	10.38
26	A	943	910	0.45
27	A	919	887	23.26
28	A	881	851	1.14
29	A	860	830	4.89
30	A	761	734	6.53
31	A	740	714	19.16
32	A	509	492	5.41
33	A	494	477	1.83
34	A	448	432	13.81
35	A	282	273	0.50
36	A	184	177	2.66

Atom	x (Å)	y (Å)	z (Å)
H1	1.625	1.875	-0.197
C2	0.871	1.093	-0.081
H3	-0.758	2.393	0.093
C4	-0.437	1.349	0.063
H5	-2.319	0.490	-0.523
H6	-1.872	0.152	1.146
C7	-1.459	0.248	0.125
H8	-0.719	-1.085	-1.419
H9	-1.429	-1.937	-0.032
C10	-0.816	-1.067	-0.320
H11	1.072	-2.125	-0.018
H12	0.502	-1.191	1.396
C13	0.570	-1.198	0.291
O14	1.441	-0.140	-0.113

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	H12	C13	O14
H1		1.0927	2.4557	2.1446	4.1933	4.1241	3.5017	3.9694	4.8875	3.8259	4.0429	3.6336	3.2855	2.0260
C2	1.0927		2.0907	1.3409	3.2764	3.1494	2.4866	3.0107	3.8043	2.7519	3.2257	2.7455	2.3405	1.3594
H3	2.4557	2.0907		1.0921	2.5377	2.7155	2.2566	3.7928	4.3830	3.4855	4.8759	4.0161	3.8333	3.3605
C4	2.1446	1.3409	1.0921		2.1499	2.1602	1.5030	2.8639	3.4335	2.4760	3.7892	3.0188	2.7485	2.4037
H5	4.1933	3.2764	2.5377	2.1499		1.7609	1.1037	2.4169	2.6305	2.1734	4.3117	3.8033	3.4435	3.8342
H6	4.1241	3.1494	2.7155	2.1602	1.7609		1.1065	3.0724	2.4385	2.1800	3.8998	2.7391	2.9186	3.5564
C7	3.5017	2.4866	2.2566	1.5030	1.1037	1.1065		2.1696	2.1906	1.5301	3.4723	2.7444	2.4969	2.9350
H8	3.9694	3.0107	3.7928	2.8639	2.4169	3.0724	2.1696		1.7754	1.1031	2.5005	3.0701	2.1447	2.6952
H9	4.8875	3.8043	4.3830	3.4335	2.6305	2.4385	2.1906	1.7754		1.1018	2.5080	2.5146	2.1559	3.3866
C10	3.8259	2.7519	3.4855	2.4760	2.1734	2.1800	1.5301	1.1031	1.1018		2.1853	2.1675	1.5210	2.4489
H11	4.0429	3.2257	4.8759	3.7892	4.3117	3.8998	3.4723	2.5005	2.5080	2.1853		1.7879	1.0990	2.0213
H12	3.6336	2.7455	4.0161	3.0188	3.8033	2.7391	2.7444	3.0701	2.5146	2.1675	1.7879		1.1070	2.0646
C13	3.2855	2.3405	3.8333	2.7485	3.4435	2.9186	2.4969	2.1447	2.1559	1.5210	1.0990	1.1070		1.4279
O14	2.0260	1.3594	3.3605	2.4037	3.8342	3.5564	2.9350	2.6952	3.3866	2.4489	2.0213	2.0646	1.4279

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	123.263	H1	C2	O14	110.952
C2	C4	H3	118.125	C2	C4	C7	121.841
C2	O14	C13	114.193	H3	C4	C7	119.985
C4	C2	O14	125.784	C4	C7	H5	110.194
C4	C7	H6	110.841	C4	C7	C10	109.438
H5	C7	H6	105.641	H5	C7	C10	110.162
H6	C7	C10	110.516	C7	C10	H8	109.897
C7	C10	H9	111.641	C7	C10	C13	109.843
H8	C10	H9	107.262	H8	C10	C13	108.585
H9	C10	C13	109.534	C10	C13	H11	112.039
C10	C13	H12	110.139	C10	C13	O14	112.254
H11	C13	H12	108.288	H11	C13	O14	105.506
H12	C13	O14	108.407

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

using model chemistry: B3PW91/cc-pVDZ

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	0.022
2	C	0.142
3	H	0.007
4	C	-0.164
5	H	0.044
6	H	0.047
7	C	-0.013
8	H	0.051
9	H	0.033
10	C	-0.099
11	H	0.041
12	H	0.040
13	C	0.122
14	O	-0.274

	x	y	z	Total
	-1.024	-0.610	0.249	1.217
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	141.089
(<r²>)^1/2	11.878

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

using model chemistry: B3PW91/cc-pVDZ

States and conformations

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