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	hartrees
Energy at 0K	-231.134739
Energy at 298.15K	-231.141734
Nuclear repulsion energy	172.044640

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3170	3175	7.94
2	A	3141	3146	3.72
3	A	3018	3023	38.15
4	A	2970	2974	43.64
5	A	2944	2949	41.74
6	A	2917	2922	50.89
7	A	1621	1623	53.48
8	A	1445	1448	0.19
9	A	1424	1427	0.14
10	A	1347	1349	3.41
11	A	1264	1266	1.77
12	A	1250	1252	5.64
13	A	1192	1193	6.61
14	A	1155	1157	5.40
15	A	1111	1112	48.41
16	A	1041	1043	32.27
17	A	1027	1029	19.49
18	A	966	968	2.86
19	A	901	903	18.80
20	A	880	881	28.34
21	A	864	865	5.73
22	A	810	812	2.27
23	A	802	803	7.16
24	A	678	680	23.55
25	A	664	666	4.93
26	A	438	439	17.66
27	A	90	90	0.91

Atom	x (Å)	y (Å)	z (Å)
H1	0.900	2.170	0.080
C2	0.494	1.155	0.045
H3	2.300	-0.139	0.017
C4	1.214	0.015	0.009
O5	0.483	-1.155	-0.067
H6	-1.419	1.121	-1.033
H7	-1.607	1.251	0.738
C8	-0.985	0.795	-0.061
H9	-1.504	-1.299	-0.709
H10	-1.274	-1.103	1.069
C11	-0.933	-0.758	0.070

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0946	2.7014	2.1798	3.3549	2.7783	2.7503	2.3379	4.2940	4.0526	3.4548
C2	1.0946		2.2216	1.3486	2.3124	2.1961	2.2149	1.5260	3.2525	3.0455	2.3863
H3	2.7014	2.2216		1.0971	2.0837	4.0647	4.2095	3.4163	4.0423	3.8488	3.2921
C4	2.1798	1.3486	1.0971		1.3813	3.0400	3.1653	2.3344	3.1023	2.9266	2.2822
O5	3.3549	2.3124	2.0837	1.3813		3.1197	3.2873	2.4410	2.0926	2.0932	1.4768
H6	2.7783	2.1961	4.0647	3.0400	3.1197		1.7857	1.1138	2.4434	3.0644	2.2327
H7	2.7503	2.2149	4.2095	3.1653	3.2873	1.7857		1.1101	2.9337	2.4010	2.2220
C8	2.3379	1.5260	3.4163	2.3344	2.4410	1.1138	1.1101		2.2526	2.2281	1.5594
H9	4.2940	3.2525	4.0423	3.1023	2.0926	2.4434	2.9337	2.2526		1.8035	1.1068
H10	4.0526	3.0455	3.8488	2.9266	2.0932	3.0644	2.4010	2.2281	1.8035		1.1111
C11	3.4548	2.3863	3.2921	2.2822	1.4768	2.2327	2.2220	1.5594	1.1068	1.1111

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.983	H1	C2	C8	125.475
C2	C4	H3	130.271	C2	C4	O5	115.780
C2	C8	H6	111.647	C2	C8	H7	113.379
C2	C8	C11	101.319	H3	C4	O5	113.944
C4	C2	C8	108.442	C4	O5	C11	105.929
O5	C11	C8	106.993	O5	C11	H9	107.316
O5	C11	H10	107.116	H6	C8	H7	106.822
H6	C8	C11	112.203	H7	C8	C11	111.575
C8	C11	H9	114.246	C8	C11	H10	112.000
H9	C11	H10	108.812

All results from a given calculation for C₄H₆O (Furan, 2,3-dihydro-)

using model chemistry: BLYP/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	-0.048
2	C	-0.080
3	H	-0.023
4	C	0.158
5	O	-0.241
6	H	0.011
7	H	0.007
8	C	0.037
9	H	0.012
10	H	0.013
11	C	0.155

	x	y	z	Total
	-0.764	0.652	0.082	1.008
CHELPG
AIM
ESP

	x	y	z
x	7.662	-0.120	0.047
y	-0.120	7.552	-0.019
z	0.047	-0.019	4.670

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C4H6O (Furan, 2,3-dihydro-)

using model chemistry: BLYP/cc-pVDZ

States and conformations

All results from a given calculation for C₄H₆O (Furan, 2,3-dihydro-)