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	hartrees
Energy at 0K	-229.998054
Energy at 298.15K	-230.005227
Nuclear repulsion energy	174.883295

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3202	3165	1.35
2	A	3170	3134	0.81
3	A	3066	3032	15.82
4	A	3027	2993	13.57
5	A	2958	2925	47.10
6	A	2944	2910	32.18
7	A	1649	1631	62.73
8	A	1422	1406	5.11
9	A	1401	1385	4.07
10	A	1342	1327	7.95
11	A	1273	1258	2.75
12	A	1232	1218	4.75
13	A	1190	1177	19.20
14	A	1165	1152	46.82
15	A	1126	1113	42.07
16	A	1068	1056	2.99
17	A	1017	1005	3.04
18	A	1004	992	10.60
19	A	951	940	8.25
20	A	928	917	45.01
21	A	863	853	5.72
22	A	832	822	1.42
23	A	820	811	7.61
24	A	671	663	42.52
25	A	653	646	4.75
26	A	455	450	20.85
27	A	160	158	0.93

Atom	x (Å)	y (Å)	z (Å)
H1	0.876	2.154	0.132
C2	0.473	1.138	0.070
H3	2.283	-0.132	0.026
C4	1.195	0.012	0.013
O5	0.468	-1.126	-0.108
H6	-1.341	1.040	-1.111
H7	-1.646	1.250	0.634
C8	-0.971	0.767	-0.098
H9	-1.533	-1.337	-0.572
H10	-1.151	-1.011	1.163
C11	-0.902	-0.743	0.113

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0943	2.6863	2.1687	3.3143	2.7743	2.7260	2.3214	4.2991	3.8970	3.3988
C2	1.0943		2.2117	1.3393	2.2718	2.1660	2.1959	1.5005	3.2498	2.9070	2.3305
H3	2.6863	2.2117		1.0968	2.0736	3.9741	4.2091	3.3779	4.0453	3.7219	3.2442
C4	2.1687	1.3393	1.0968		1.3566	2.9582	3.1611	2.2968	3.0990	2.8059	2.2317
O5	3.3143	2.2718	2.0736	1.3566		2.9952	3.2659	2.3779	2.0643	2.0608	1.4401
H6	2.7743	2.1660	3.9741	2.9582	2.9952		1.7839	1.1125	2.4451	3.0681	2.2064
H7	2.7260	2.1959	4.2091	3.1611	3.2659	1.7839		1.1068	2.8564	2.3741	2.1895
C8	2.3214	1.5005	3.3779	2.2968	2.3779	1.1125	1.1068		2.2282	2.1865	1.5253
H9	4.2991	3.2498	4.0453	3.0990	2.0643	2.4451	2.8564	2.2282		1.8059	1.1044
H10	3.8970	2.9070	3.7219	2.8059	2.0608	3.0681	2.3741	2.1865	1.8059		1.1115
C11	3.3988	2.3305	3.2442	2.2317	1.4401	2.2064	2.1895	1.5253	1.1044	1.1115

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.738	H1	C2	C8	126.209
C2	C4	H3	130.161	C2	C4	O5	114.851
C2	C8	H6	111.110	C2	C8	H7	113.898
C2	C8	C11	100.746	H3	C4	O5	114.972
C4	C2	C8	107.821	C4	O5	C11	105.836
O5	C11	C8	106.586	O5	C11	H9	107.714
O5	C11	H10	107.025	H6	C8	H7	106.989
H6	C8	C11	112.595	H7	C8	C11	111.592
C8	C11	H9	114.908	C8	C11	H10	111.069
H9	C11	H10	109.167

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

using model chemistry: LSDA/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	-0.441
2	C	0.686
3	H	-0.415
4	C	0.262
5	O	-0.388
6	H	-0.287
7	H	-0.252
8	C	0.590
9	H	-0.348
10	H	-0.336
11	C	0.928

	x	y	z	Total
	-0.855	0.776	0.096	1.159
CHELPG
AIM
ESP

	x	y	z
x	8.646	-0.128	0.061
y	-0.128	8.594	-0.023
z	0.061	-0.023	6.438

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/aug-cc-pVDZ

States and conformations

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