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	hartrees
Energy at 0K	-268.845751
Energy at 298.15K	-268.856029
Nuclear repulsion energy	242.780787

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3385	3056	32.33
2	A	3353	3026	5.32
3	A	3273	2954	56.31
4	A	3242	2926	65.88
5	A	3212	2899	52.44
6	A	3194	2883	18.76
7	A	3180	2870	56.13
8	A	3168	2860	44.85
9	A	1886	1703	90.76
10	A	1648	1487	0.74
11	A	1627	1469	1.17
12	A	1610	1453	2.11
13	A	1567	1414	4.98
14	A	1534	1384	11.55
15	A	1507	1360	1.37
16	A	1477	1333	4.15
17	A	1415	1277	7.72
18	A	1396	1260	129.59
19	A	1366	1233	6.21
20	A	1319	1191	2.64
21	A	1214	1095	61.18
22	A	1208	1091	38.66
23	A	1141	1030	16.47
24	A	1124	1015	3.17
25	A	1090	984	0.04
26	A	1018	919	25.80
27	A	975	880	16.89
28	A	971	876	4.37
29	A	906	817	3.22
30	A	847	764	19.99
31	A	809	730	5.32
32	A	549	496	8.67
33	A	533	481	3.13
34	A	482	435	15.12
35	A	302	272	0.67
36	A	194	175	5.03

Atom	x (Å)	y (Å)	z (Å)
H1	1.693	1.787	-0.172
C2	0.914	1.052	-0.077
H3	-0.629	2.406	0.097
C4	-0.360	1.366	0.057
H5	-2.271	0.594	-0.520
H6	-1.844	0.249	1.132
C7	-1.440	0.316	0.123
H8	-0.778	-1.067	-1.394
H9	-1.507	-1.855	-0.009
C10	-0.863	-1.034	-0.312
H11	0.973	-2.153	-0.021
H12	0.462	-1.213	1.377
C13	0.522	-1.221	0.290
O14	1.408	-0.203	-0.122

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	H12	C13	O14
H1		1.0743	2.4180	2.1080	4.1537	4.0710	3.4728	3.9677	4.8496	3.8087	4.0079	3.5933	3.2601	2.0108
C2	1.0743		2.0608	1.3198	3.2484	3.1169	2.4746	3.0153	3.7834	2.7507	3.2064	2.7295	2.3355	1.3497
H3	2.4180	2.0608		1.0751	2.5224	2.6839	2.2420	3.7831	4.3517	3.4725	4.8344	3.9915	3.8102	3.3179
C4	2.1080	1.3198	1.0751		2.1399	2.1461	1.5072	2.8638	3.4192	2.4798	3.7643	3.0123	2.7432	2.3712
H5	4.1537	3.2484	2.5224	2.1399		1.7407	1.0867	2.3978	2.6152	2.1619	4.2795	3.7860	3.4273	3.7852
H6	4.0710	3.1169	2.6839	2.1461	1.7407		1.0889	3.0412	2.4161	2.1661	3.8771	2.7416	2.9092	3.5143
C7	3.4728	2.4746	2.2420	1.5072	1.0867	1.0889		2.1573	2.1759	1.5314	3.4555	2.7442	2.4976	2.9052
H8	3.9677	3.0153	3.7831	2.8638	2.3978	3.0412	2.1573		1.7525	1.0863	2.4763	3.0399	2.1335	2.6733
H9	4.8496	3.7834	4.3517	3.4192	2.6152	2.4161	2.1759	1.7525		1.0860	2.4972	2.4914	2.1459	3.3517
C10	3.8087	2.7507	3.4725	2.4798	2.1619	2.1661	1.5314	1.0863	1.0860		2.1697	2.1543	1.5216	2.4258
H11	4.0079	3.2064	4.8344	3.7643	4.2795	3.8771	3.4555	2.4763	2.4972	2.1697		1.7602	1.0817	2.0005
H12	3.5933	2.7295	3.9915	3.0123	3.7860	2.7416	2.7442	3.0399	2.4914	2.1543	1.7602		1.0883	2.0394
C13	3.2601	2.3355	3.8102	2.7432	3.4273	2.9092	2.4976	2.1335	2.1459	1.5216	1.0817	1.0883		1.4107
O14	2.0108	1.3497	3.3179	2.3712	3.7852	3.5143	2.9052	2.6733	3.3517	2.4258	2.0005	2.0394	1.4107

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	123.089	H1	C2	O14	111.598
C2	C4	H3	118.392	C2	C4	C7	122.035
C2	O14	C13	115.555	H3	C4	C7	119.560
C4	C2	O14	125.311	C4	C7	H5	110.116
C4	C7	H6	110.479	C4	C7	C10	109.390
H5	C7	H6	106.281	H5	C7	C10	110.171
H6	C7	C10	110.369	C7	C10	H8	109.831
C7	C10	H9	111.329	C7	C10	C13	109.788
H8	C10	H9	107.559	H8	C10	C13	108.641
H9	C10	C13	109.628	C10	C13	H11	111.796
C10	C13	H12	110.166	C10	C13	O14	111.582
H11	C13	H12	108.419	H11	C13	O14	106.013
H12	C13	O14	108.708

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

using model chemistry: HF/6-31G**

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	CHELPG
1	H	0.146	0.115
2	C	0.234	0.152
3	H	0.134	0.140
4	C	-0.243	-0.486
5	H	0.125	-0.084
6	H	0.122	-0.084
7	C	-0.220	0.478
8	H	0.133	0.052
9	H	0.118	-0.003
10	C	-0.265	-0.194
11	H	0.129	-0.020
12	H	0.111	-0.037
13	C	0.107	0.423
14	O	-0.632	-0.451

	x	y	z	Total
	-1.223	-0.336	0.350	1.316
CHELPG
AIM
ESP

	x	y	z
x	8.579	-0.314	-0.225
y	-0.314	7.955	-0.054
z	-0.225	-0.054	5.576

<r²>	139.847
(<r²>)^1/2	11.826

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

using model chemistry: HF/6-31G**

States and conformations

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