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	hartrees
Energy at 0K	-270.557232
Energy at 298.15K	-270.567215
HF Energy	-270.557232
Nuclear repulsion energy	242.277446

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3225	3085	19.53
2	A	3203	3064	1.28
3	A	3134	2998	32.29
4	A	3119	2983	35.60
5	A	3085	2951	32.56
6	A	3065	2932	15.02
7	A	3039	2907	38.07
8	A	3025	2894	40.77
9	A	1737	1662	91.00
10	A	1505	1440	3.87
11	A	1496	1431	7.26
12	A	1484	1420	2.36
13	A	1450	1387	3.62
14	A	1414	1353	2.17
15	A	1380	1320	1.83
16	A	1366	1306	4.45
17	A	1315	1258	1.77
18	A	1297	1241	100.88
19	A	1264	1210	10.52
20	A	1220	1167	2.37
21	A	1122	1074	71.93
22	A	1110	1062	10.36
23	A	1078	1031	11.72
24	A	1050	1005	3.02
25	A	974	931	1.70
26	A	961	919	14.64
27	A	918	878	22.21
28	A	893	854	1.94
29	A	860	823	3.60
30	A	768	735	7.58
31	A	743	710	27.24
32	A	521	498	5.40
33	A	503	482	2.12
34	A	452	433	13.14
35	A	283	271	0.57
36	A	174	166	2.51

Atom	x (Å)	y (Å)	z (Å)
H1	1.717	1.771	-0.196
C2	0.929	1.041	-0.081
H3	-0.603	2.416	0.095
C4	-0.350	1.367	0.063
H5	-2.270	0.626	-0.511
H6	-1.837	0.254	1.140
C7	-1.434	0.331	0.126
H8	-0.772	-1.032	-1.411
H9	-1.534	-1.838	-0.042
C10	-0.875	-1.016	-0.324
H11	0.937	-2.177	-0.000
H12	0.422	-1.195	1.386
C13	0.494	-1.228	0.294
O14	1.420	-0.224	-0.116

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	H12	C13	O14
H1		1.0807	2.4257	2.1223	4.1606	4.0890	3.4798	3.9404	4.8599	3.8086	4.0286	3.6025	3.2757	2.0184
C2	1.0807		2.0657	1.3272	3.2542	3.1240	2.4759	2.9929	3.7889	2.7469	3.2188	2.7222	2.3406	1.3578
H3	2.4257	2.0657		1.0803	2.5204	2.7007	2.2450	3.7661	4.3576	3.4688	4.8452	3.9702	3.8110	3.3329
C4	2.1223	1.3272	1.0803		2.1365	2.1472	1.5005	2.8461	3.4182	2.4705	3.7702	2.9852	2.7382	2.3866
H5	4.1606	3.2542	2.5204	2.1365		1.7474	1.0917	2.4088	2.6148	2.1632	4.2901	3.7642	3.4246	3.8080
H6	4.0890	3.1240	2.7007	2.1472	1.7474		1.0939	3.0484	2.4223	2.1639	3.8603	2.6953	2.8886	3.5236
C7	3.4798	2.4759	2.2450	1.5005	1.0917	1.0939		2.1581	2.1785	1.5269	3.4539	2.7141	2.4856	2.9183
H8	3.9404	2.9929	3.7661	2.8461	2.4088	3.0484	2.1581		1.7614	1.0914	2.4944	3.0459	2.1327	2.6714
H9	4.8599	3.7889	4.3576	3.4182	2.6148	2.4223	2.1785	1.7614		1.0904	2.4941	2.5063	2.1440	3.3672
C10	3.8086	2.7469	3.4688	2.4705	2.1632	2.1639	1.5269	1.0914	1.0904		2.1761	2.1545	1.5171	2.4374
H11	4.0286	3.2188	4.8452	3.7702	4.2901	3.8603	3.4539	2.4944	2.4941	2.1761		1.7751	1.0877	2.0149
H12	3.6025	2.7222	3.9702	2.9852	3.7642	2.6953	2.7141	3.0459	2.5063	2.1545	1.7751		1.0950	2.0484
C13	3.2757	2.3406	3.8110	2.7382	3.4246	2.8886	2.4856	2.1327	2.1440	1.5171	1.0877	1.0950		1.4264
O14	2.0184	1.3578	3.3329	2.3866	3.8080	3.5236	2.9183	2.6714	3.3672	2.4374	2.0149	2.0484	1.4264

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	123.306	H1	C2	O14	111.225
C2	C4	H3	117.830	C2	C4	C7	122.113
C2	O14	C13	114.405	H3	C4	C7	120.013
C4	C2	O14	125.467	C4	C7	H5	110.016
C4	C7	H6	110.734	C4	C7	C10	109.376
H5	C7	H6	106.167	H5	C7	C10	110.294
H6	C7	C10	110.217	C7	C10	H8	109.908
C7	C10	H9	111.599	C7	C10	C13	109.480
H8	C10	H9	107.670	H8	C10	C13	108.586
H9	C10	C13	109.536	C10	C13	H11	112.274
C10	C13	H12	110.088	C10	C13	O14	111.759
H11	C13	H12	108.831	H11	C13	O14	105.751
H12	C13	O14	107.944

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

using model chemistry: wB97X-D/aug-cc-pVTZ

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	0.746
2	C	-0.278
3	H	0.207
4	C	-0.680
5	H	0.252
6	H	0.242
7	C	-0.202
8	H	0.235
9	H	0.265
10	C	-0.407
11	H	0.280
12	H	0.288
13	C	-0.265
14	O	-0.683

	x	y	z	Total
	-1.233	-0.552	0.275	1.379
CHELPG
AIM
ESP

	x	y	z
x	10.144	-0.213	-0.119
y	-0.213	9.811	-0.042
z	-0.119	-0.042	7.604

<r²>	140.179
(<r²>)^1/2	11.840

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

using model chemistry: wB97X-D/aug-cc-pVTZ

States and conformations

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