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	hartrees
Energy at 0K	-267.905653
Energy at 298.15K	-267.914609
HF Energy	-267.337955
Nuclear repulsion energy	233.666950

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3279	3130	2.36
2	A	3180	3036	37.56
3	A	3177	3032	10.69
4	A	3157	3013	10.65
5	A	3136	2993	7.33
6	A	3123	2980	38.85
7	A	3097	2956	28.72
8	A	3092	2951	10.14
9	A	1710	1632	21.20
10	A	1612	1538	0.22
11	A	1595	1522	5.48
12	A	1589	1517	5.16
13	A	1576	1504	6.85
14	A	1493	1425	6.22
15	A	1407	1343	3.77
16	A	1351	1289	14.16
17	A	1303	1244	21.38
18	A	1300	1241	0.55
19	A	1223	1167	0.37
20	A	1201	1146	53.36
21	A	1140	1088	4.40
22	A	1103	1053	0.37
23	A	1080	1031	7.45
24	A	987	943	1.91
25	A	957	913	55.06
26	A	899	858	17.01
27	A	865	826	0.67
28	A	864	825	13.28
29	A	748	714	29.30
30	A	728	694	1.19
31	A	620	592	2.14
32	A	533	509	2.47
33	A	326	311	2.26
34	A	220	210	9.81
35	A	151	144	1.19
36	A	35	33	2.00

Atom	x (Å)	y (Å)	z (Å)
C1	-1.423	-0.820	-0.000
H2	-1.855	-1.269	-0.897
H3	-1.855	-1.270	0.896
O4	0.053	-1.142	0.000
C5	-1.549	0.752	0.000
H6	-2.082	1.103	0.890
H7	-2.083	1.104	-0.889
C8	-0.079	1.183	-0.000
H9	0.249	2.213	-0.000
C10	2.225	0.001	0.000
H11	2.563	-0.547	-0.885
H12	2.671	1.000	-0.002
H13	2.563	-0.543	0.888
C14	0.727	0.108	-0.000

	C1	H2	H3	O4	C5	H6	H7	C8	H9	C10	H11	H12	H13	C14
C1		1.0918	1.0918	1.5103	1.5770	2.2197	2.2198	2.4124	3.4630	3.7392	4.0918	4.4800	4.0931	2.3414
H2	1.0918		1.7927	2.1117	2.2321	2.9788	2.3839	3.1578	4.1655	4.3662	4.4762	5.1410	4.8199	3.0603
H3	1.0918	1.7927		2.1117	2.2321	2.3837	2.9785	3.1583	4.1661	4.3666	4.8182	5.1424	4.4778	3.0607
O4	1.5103	2.1117	2.1117		2.4807	3.2237	3.2243	2.3294	3.3610	2.4550	2.7274	3.3830	2.7295	1.4209
C5	1.5770	2.2321	2.2321	2.4807		1.0952	1.0952	1.5321	2.3164	3.8480	4.4022	4.2271	4.4017	2.3648
H6	2.2197	2.9788	2.3837	3.2237	1.0952		1.7792	2.1934	2.7303	4.5340	5.2393	4.8369	4.9282	3.1096
H7	2.2198	2.3839	2.9785	3.2243	1.0952	1.7792		2.1935	2.7301	4.5346	4.9301	4.8365	5.2397	3.1101
C8	2.4124	3.1578	3.1583	2.3294	1.5321	2.1934	2.1935		1.0804	2.5895	3.2798	2.7558	3.2787	1.3431
H9	3.4630	4.1655	4.1661	3.3610	2.3164	2.7303	2.7301	1.0804		2.9662	3.7092	2.7090	3.7072	2.1581
C10	3.7392	4.3662	4.3666	2.4550	3.8480	4.5340	4.5346	2.5895	2.9662		1.0951	1.0937	1.0951	1.5023
H11	4.0918	4.4762	4.8182	2.7274	4.4022	5.2393	4.9301	3.2798	3.7092	1.0951		1.7849	1.7735	2.1414
H12	4.4800	5.1410	5.1424	3.3830	4.2271	4.8369	4.8365	2.7558	2.7090	1.0937	1.7849		1.7849	2.1389
H13	4.0931	4.8199	4.4778	2.7295	4.4017	4.9282	5.2397	3.2787	3.7072	1.0951	1.7735	1.7849		2.1416
C14	2.3414	3.0603	3.0607	1.4209	2.3648	3.1096	3.1101	1.3431	2.1581	1.5023	2.1414	2.1389	2.1416

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	O4	C14	105.993	C1	C5	H6	111.046
C1	C5	H7	111.052	C1	C5	C8	101.764
H2	C1	H3	110.367	H2	C1	O4	107.399
H2	C1	C5	112.234	H3	C1	O4	107.398
H3	C1	C5	112.233	O4	C1	C5	106.911
O4	C14	C8	114.836	O4	C14	C10	114.222
C5	C8	H9	123.992	C5	C8	C14	110.495
H6	C5	H7	108.638	H6	C5	C8	112.126
H7	C5	C8	112.133	C8	C14	C10	130.942
H9	C8	C14	125.513	H11	C10	H12	109.270
H11	C10	H13	108.146	H11	C10	C14	110.077
H12	C10	H13	109.267	H12	C10	C14	109.959
H13	C10	C14	110.090

All results from a given calculation for C₅H₈O (Furan, 2,3-dihydro-5-methyl-)

using model chemistry: MP2/3-21G

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	ESP
1	C	-0.133	-0.024
2	H	0.199	0.084
3	H	0.199	0.084
4	O	-0.508	-0.351
5	C	-0.436	0.079
6	H	0.202	0.027
7	H	0.202	0.027
8	C	-0.268	-0.437
9	H	0.185	0.167
10	C	-0.594	-0.673
11	H	0.214	0.198
12	H	0.197	0.188
13	H	0.214	0.198
14	C	0.327	0.433

	x	y	z	Total
	-0.574	0.994	-0.000	1.148
CHELPG
AIM
ESP	-0.583	0.952	-0.000	1.116

	x	y	z
x	8.709	-0.324	0.000
y	-0.324	7.629	-0.000
z	0.000	-0.000	5.049

<r²>	161.190
(<r²>)^1/2	12.696

All results from a given calculation for C5H8O (Furan, 2,3-dihydro-5-methyl-)

using model chemistry: MP2/3-21G

States and conformations

All results from a given calculation for C₅H₈O (Furan, 2,3-dihydro-5-methyl-)