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	hartrees
Energy at 0K	-231.147836
Energy at 298.15K	-231.155062
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3289	3151	4.99
2	A	3261	3123	1.24
3	A	3155	3022	28.18
4	A	3111	2980	26.06
5	A	3069	2940	44.34
6	A	3048	2920	42.73
7	A	1706	1634	69.24
8	A	1503	1439	1.34
9	A	1478	1416	1.11
10	A	1402	1343	6.28
11	A	1326	1270	2.52
12	A	1290	1236	4.68
13	A	1242	1190	9.03
14	A	1206	1155	20.37
15	A	1163	1114	71.10
16	A	1101	1055	27.01
17	A	1064	1019	4.11
18	A	1028	984	9.86
19	A	960	919	11.44
20	A	950	910	46.76
21	A	916	877	4.86
22	A	849	813	3.09
23	A	837	802	5.95
24	A	713	683	44.12
25	A	678	650	1.94
26	A	457	438	19.17
27	A	125	120	1.12

Atom	x (Å)	y (Å)	z (Å)
H1	0.992	2.094	0.108
C2	0.538	1.112	0.055
H3	2.263	-0.241	0.028
C4	1.196	-0.046	0.012
O5	0.412	-1.153	-0.090
H6	-1.314	1.137	-1.062
H7	-1.546	1.319	0.681
C8	-0.932	0.823	-0.080
H9	-1.571	-1.229	-0.631
H10	-1.251	-0.987	1.108
C11	-0.947	-0.700	0.093

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0832	2.6603	2.1517	3.3043	2.7571	2.7144	2.3133	4.2612	3.9398	3.4008
C2	1.0832		2.1925	1.3320	2.2727	2.1630	2.1859	1.5047	3.2249	2.9521	2.3430
H3	2.6603	2.1925		1.0851	2.0672	3.9853	4.1678	3.3701	4.0140	3.7518	3.2434
C4	2.1517	1.3320	1.0851		1.3606	2.9751	3.1349	2.3009	3.0775	2.8420	2.2420
O5	3.3043	2.2727	2.0672	1.3606		3.0274	3.2458	2.3901	2.0568	2.0563	1.4436
H6	2.7571	2.1630	3.9853	2.9751	3.0274		1.7674	1.0993	2.4185	3.0364	2.2006
H7	2.7144	2.1859	4.1678	3.1349	3.2458	1.7674		1.0955	2.8660	2.3631	2.1865
C8	2.3133	1.5047	3.3701	2.3009	2.3901	1.0993	1.0955		2.2193	2.1883	1.5335
H9	4.2612	3.2249	4.0140	3.0775	2.0568	2.4185	2.8660	2.2193		1.7845	1.0927
H10	3.9398	2.9521	3.7518	2.8420	2.0563	3.0364	2.3631	2.1883	1.7845		1.0975
C11	3.4008	2.3430	3.2434	2.2420	1.4436	2.2006	2.1865	1.5335	1.0927	1.0975

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.655	H1	C2	C8	125.960
C2	C4	H3	129.926	C2	C4	O5	115.138
C2	C8	H6	111.386	C2	C8	H7	113.492
C2	C8	C11	100.921	H3	C4	O5	114.926
C4	C2	C8	108.259	C4	O5	C11	106.133
O5	C11	C8	106.765	O5	C11	H9	107.571
O5	C11	H10	107.250	H6	C8	H7	107.278
H6	C8	C11	112.365	H7	C8	C11	111.457
C8	C11	H9	114.315	C8	C11	H10	111.476
H9	C11	H10	109.130

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

using model chemistry: B1B95/aug-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	-0.456
2	C	0.601
3	H	-0.426
4	C	0.464
5	O	-0.580
6	H	-0.271
7	H	-0.242
8	C	0.534
9	H	-0.360
10	H	-0.348
11	C	1.084

	x	y	z	Total
	-0.802	0.901	0.108	1.211
CHELPG
AIM
ESP

	x	y	z
x	8.211	-0.183	0.044
y	-0.183	8.211	-0.024
z	0.044	-0.024	6.055

<r²>	93.681
(<r²>)^1/2	9.679

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

using model chemistry: B1B95/aug-cc-pVDZ

States and conformations

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