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	hartrees
Energy at 0K	-230.939969
Energy at 298.15K	-230.947043
Nuclear repulsion energy	173.220832

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3205	3161	5.77
2	A	3172	3128	4.28
3	A	3056	3014	32.29
4	A	3012	2971	29.28
5	A	2974	2933	45.40
6	A	2951	2911	44.43
7	A	1648	1625	52.98
8	A	1477	1456	0.22
9	A	1455	1435	0.11
10	A	1369	1350	3.21
11	A	1288	1271	2.60
12	A	1263	1246	5.60
13	A	1207	1191	10.76
14	A	1174	1158	13.19
15	A	1136	1121	52.98
16	A	1068	1053	33.25
17	A	1037	1023	5.35
18	A	989	975	4.28
19	A	923	911	15.08
20	A	914	901	32.19
21	A	866	854	4.36
22	A	825	814	2.31
23	A	815	804	5.76
24	A	685	676	29.03
25	A	661	652	2.42
26	A	440	434	21.17
27	A	119	118	1.18

Atom	x (Å)	y (Å)	z (Å)
H1	0.800	2.194	0.099
C2	0.440	1.168	0.055
H3	2.289	-0.044	0.020
C4	1.203	0.062	0.010
O5	0.524	-1.127	-0.082
H6	-1.432	1.036	-1.058
H7	-1.670	1.182	0.696
C8	-1.010	0.747	-0.075
H9	-1.459	-1.369	-0.655
H10	-1.186	-1.114	1.099
C11	-0.889	-0.789	0.086

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0885	2.6899	2.1715	3.3377	2.7675	2.7349	2.3244	4.2861	3.9866	3.4277
C2	1.0885		2.2116	1.3442	2.3007	2.1816	2.2046	1.5158	3.2479	2.9904	2.3652
H3	2.6899	2.2116		1.0914	2.0733	4.0217	4.1994	3.3946	4.0326	3.7930	3.2647
C4	2.1715	1.3442	1.0914		1.3728	3.0050	3.1588	2.3186	3.0951	2.8775	2.2597
O5	3.3377	2.3007	2.0733	1.3728		3.0752	3.2788	2.4222	2.0786	2.0783	1.4625
H6	2.7675	2.1816	4.0217	3.0050	3.0752		1.7756	1.1077	2.4391	3.0560	2.2208
H7	2.7349	2.2046	4.1994	3.1588	3.2788	1.7756		1.1037	2.8947	2.3817	2.2059
C8	2.3244	1.5158	3.3946	2.3186	2.4222	1.1077	1.1037		2.2397	2.2080	1.5487
H9	4.2861	3.2479	4.0326	3.0951	2.0786	2.4391	2.8947	2.2397		1.7936	1.1006
H10	3.9866	2.9904	3.7930	2.8775	2.0783	3.0560	2.3817	2.2080	1.7936		1.1054
C11	3.4277	2.3652	3.2647	2.2597	1.4625	2.2208	2.2059	1.5487	1.1006	1.1054

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	126.080	H1	C2	C8	125.579
C2	C4	H3	130.184	C2	C4	O5	115.723
C2	C8	H6	111.575	C2	C8	H7	113.689
C2	C8	C11	101.025	H3	C4	O5	114.088
C4	C2	C8	108.177	C4	O5	C11	105.644
O5	C11	C8	107.070	O5	C11	H9	107.544
O5	C11	H10	107.249	H6	C8	H7	106.829
H6	C8	C11	112.385	H7	C8	C11	111.442
C8	C11	H9	114.367	C8	C11	H10	111.498
H9	C11	H10	108.791

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

using model chemistry: PBEPBE/6-31G**

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	0.099
2	C	-0.168
3	H	0.113
4	C	0.158
5	O	-0.432
6	H	0.129
7	H	0.127
8	C	-0.273
9	H	0.128
10	H	0.127
11	C	-0.007

	x	y	z	Total
	-0.813	0.720	0.115	1.091
CHELPG
AIM
ESP

	x	y	z
x	7.276	-0.153	0.052
y	-0.153	7.181	0.004
z	0.052	0.004	4.434

<r²>	94.759
(<r²>)^1/2	9.734

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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