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	hartrees
Energy at 0K	-231.190073
Energy at 298.15K	-231.197149
Nuclear repulsion energy	171.358128

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3301	3173	10.67
2	A	3265	3139	0.16
3	A	3159	3036	50.31
4	A	3095	2975	61.67
5	A	3092	2972	21.34
6	A	3050	2932	45.83
7	A	1662	1598	48.82
8	A	1536	1476	3.40
9	A	1520	1461	1.71
10	A	1393	1339	1.53
11	A	1317	1266	9.20
12	A	1307	1257	16.64
13	A	1247	1198	0.22
14	A	1192	1146	2.58
15	A	1163	1118	43.24
16	A	1082	1040	1.69
17	A	1056	1015	69.70
18	A	1018	978	1.90
19	A	929	893	29.76
20	A	928	892	2.37
21	A	884	850	38.50
22	A	839	807	0.22
23	A	833	801	1.33
24	A	740	711	73.29
25	A	698	671	2.88
26	A	454	437	28.23
27	A	68	65	2.88

Atom	x (Å)	y (Å)	z (Å)
H1	1.103	2.063	0.001
C2	0.614	1.098	0.001
H3	2.281	-0.359	0.000
C4	1.230	-0.101	0.000
O5	0.366	-1.207	-0.001
H6	-1.372	1.341	-0.886
H7	-1.375	1.342	0.883
C8	-0.901	0.895	-0.001
H9	-1.525	-1.054	-0.892
H10	-1.522	-1.052	0.897
C11	-1.029	-0.662	0.001

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0817	2.6925	2.1673	3.3515	2.7270	2.7265	2.3193	4.1733	4.1704	3.4594
C2	1.0817		2.2134	1.3478	2.3179	2.1890	2.1892	1.5284	3.1626	3.1601	2.4074
H3	2.6925	2.2134		1.0819	2.0946	4.1255	4.1272	3.4195	3.9705	3.9680	3.3234
C4	2.1673	1.3478	1.0819		1.4036	3.1043	3.1059	2.3520	3.0488	3.0466	2.3274
O5	3.3515	2.3179	2.0946	1.4036		3.2085	3.2106	2.4535	2.0959	2.0959	1.4970
H6	2.7270	2.1890	4.1255	3.1043	3.2085		1.7693	1.0981	2.3993	2.9875	2.2172
H7	2.7265	2.1892	4.1272	3.1059	3.2106	1.7693		1.0980	2.9859	2.3988	2.2171
C8	2.3193	1.5284	3.4195	2.3520	2.4535	1.0981	1.0980		2.2318	2.2315	1.5619
H9	4.1733	3.1626	3.9705	3.0488	2.0959	2.3993	2.9859	2.2318		1.7888	1.0943
H10	4.1704	3.1601	3.9680	3.0466	2.0959	2.9875	2.3988	2.2315	1.7888		1.0943
C11	3.4594	2.4074	3.3234	2.3274	1.4970	2.2172	2.2171	1.5619	1.0943	1.0943

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.929	H1	C2	C8	124.509
C2	C4	H3	130.977	C2	C4	O5	114.787
C2	C8	H6	111.863	C2	C8	H7	111.884
C2	C8	C11	102.334	H3	C4	O5	114.236
C4	C2	C8	109.562	C4	O5	C11	106.675
O5	C11	C8	106.642	O5	C11	H9	106.937
O5	C11	H10	106.934	H6	C8	H7	107.344
H6	C8	C11	111.743	H7	C8	C11	111.734
C8	C11	H9	113.147	C8	C11	H10	113.122
H9	C11	H10	109.632

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

using model chemistry: B3LYP/SDD

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	0.236
2	C	-0.278
3	H	0.246
4	C	-0.071
5	O	-0.303
6	H	0.208
7	H	0.208
8	C	-0.413
9	H	0.209
10	H	0.209
11	C	-0.250

	x	y	z	Total
	-1.013	1.524	0.002	1.831
CHELPG
AIM
ESP

	x	y	z
x	6.784	-0.291	-0.002
y	-0.291	7.084	0.000
z	-0.002	0.000	4.112

<r²>	96.721
(<r²>)^1/2	9.835

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

using model chemistry: B3LYP/SDD

States and conformations

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