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	hartrees
Energy at 0K	-270.418238
Energy at 298.15K	-270.428230
HF Energy	-270.418238
Nuclear repulsion energy	241.742739

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3256	3083	22.36
2	A	3233	3062	1.35
3	A	3161	2994	32.67
4	A	3146	2979	30.36
5	A	3109	2944	30.70
6	A	3091	2928	12.71
7	A	3067	2905	45.00
8	A	3061	2899	29.30
9	A	1765	1672	75.15
10	A	1534	1452	1.67
11	A	1520	1439	2.34
12	A	1505	1425	2.64
13	A	1457	1380	3.95
14	A	1423	1347	7.37
15	A	1395	1321	1.71
16	A	1369	1297	6.00
17	A	1320	1250	7.44
18	A	1310	1240	111.40
19	A	1273	1206	3.28
20	A	1226	1161	3.16
21	A	1136	1076	50.80
22	A	1117	1058	9.73
23	A	1086	1029	14.81
24	A	1050	995	2.11
25	A	984	931	0.80
26	A	972	920	17.37
27	A	935	885	17.29
28	A	902	854	0.98
29	A	874	828	2.79
30	A	781	740	14.67
31	A	755	715	10.05
32	A	515	488	6.55
33	A	500	474	2.59
34	A	452	428	14.08
35	A	294	278	0.64
36	A	194	184	3.26

Atom	x (Å)	y (Å)	z (Å)
H1	2.035	1.362	-0.085
C2	1.155	0.796	-0.038
H3	-0.100	2.407	-0.331
C4	-0.041	1.400	-0.047
H5	-2.163	1.175	-0.030
H6	-1.304	0.451	1.339
C7	-1.257	0.637	0.265
H8	-0.996	-0.633	-1.481
H9	-1.960	-1.376	-0.171
C10	-1.108	-0.731	-0.400
H11	0.355	-2.336	-0.132
H12	0.026	-1.358	1.311
C13	0.162	-1.323	0.227
O14	1.330	-0.545	-0.057

	H1	C2	H3	C4	H5	H6	C7	H8	H9	C10	H11	H12	C13	O14
H1		1.0472	2.3894	2.0763	4.2020	3.7423	3.3883	3.8880	4.8438	3.7889	4.0611	3.6576	3.2879	2.0333
C2	1.0472		2.0633	1.3402	3.3394	2.8393	2.4357	2.9585	3.7997	2.7537	3.2330	2.7802	2.3545	1.3524
H3	2.3894	2.0633		1.0475	2.4217	2.8397	2.1970	3.3722	4.2189	3.2970	4.7687	4.1089	3.7807	3.2917
C4	2.0763	1.3402	1.0475		2.1339	2.1019	1.4691	2.6657	3.3776	2.4098	3.7580	3.0748	2.7449	2.3802
H5	4.2020	3.3394	2.4217	2.1339		1.7712	1.0944	2.5952	2.5628	2.2096	4.3215	3.6059	3.4225	3.8935
H6	3.7423	2.8393	2.8397	2.1019	1.7712		1.0917	3.0374	2.4598	2.1122	3.5614	2.2453	2.5568	3.1434
C7	3.3883	2.4357	2.1970	1.4691	1.0944	1.0917		2.1745	2.1763	1.5280	3.4045	2.5917	2.4201	2.8621
H8	3.8880	2.9585	3.3722	2.6657	2.5952	3.0374	2.1745		1.7880	1.0914	2.5585	3.0600	2.1761	2.7288
H9	4.8438	3.7997	4.2189	3.3776	2.5628	2.4598	2.1763	1.7880		1.0930	2.5069	2.4781	2.1604	3.3953
C10	3.7889	2.7537	3.2970	2.4098	2.2096	2.1122	1.5280	1.0914	1.0930		2.1880	2.1457	1.5353	2.4688
H11	4.0611	3.2330	4.7687	3.7580	4.3215	3.5614	3.4045	2.5585	2.5069	2.1880		1.7736	1.0912	2.0397
H12	3.6576	2.7802	4.1089	3.0748	3.6059	2.2453	2.5917	3.0600	2.4781	2.1457	1.7736		1.0932	2.0572
C13	3.2879	2.3545	3.7807	2.7449	3.4225	2.5568	2.4201	2.1761	2.1604	1.5353	1.0912	1.0932		1.4312
O14	2.0333	1.3524	3.2917	2.3802	3.8935	3.1434	2.8621	2.7288	3.3953	2.4688	2.0397	2.0572	1.4312

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	120.350	H1	C2	O14	115.257
C2	C4	H3	119.061	C2	C4	C7	120.156
C2	O14	C13	115.496	H3	C4	C7	120.694
C4	C2	O14	124.255	C4	C7	H5	111.869
C4	C7	H6	109.446	C4	C7	C10	107.017
H5	C7	H6	108.238	H5	C7	C10	113.806
H6	C7	C10	106.268	C7	C10	H8	111.130
C7	C10	H9	111.177	C7	C10	C13	104.375
H8	C10	H9	109.879	H8	C10	C13	110.747
H9	C10	C13	109.415	C10	C13	H11	111.713
C10	C13	H12	108.262	C10	C13	O14	112.609
H11	C13	H12	108.569	H11	C13	O14	107.158
H12	C13	O14	108.417

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

using model chemistry: M06-2X/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
1	H	0.167
2	C	0.112
3	H	0.155
4	C	-0.213
5	H	0.167
6	H	0.164
7	C	-0.325
8	H	0.174
9	H	0.161
10	C	-0.339
11	H	0.171
12	H	0.155
13	C	-0.056
14	O	-0.491

	x	y	z	Total
	-1.158	-0.412	0.287	1.262
CHELPG
AIM
ESP

	x	y	z
x	8.720	-0.235	-0.248
y	-0.235	8.392	-0.089
z	-0.248	-0.089	5.700

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: M06-2X/6-31G*

States and conformations

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