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	hartrees
Energy at 0K	-231.151175
Energy at 298.15K	-231.158347
Nuclear repulsion energy	174.197930

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3268	3153	5.38
2	A	3239	3125	2.21
3	A	3122	3013	32.30
4	A	3079	2972	27.94
5	A	3043	2937	43.77
6	A	3021	2915	45.86
7	A	1700	1640	62.72
8	A	1489	1437	0.92
9	A	1464	1413	0.54
10	A	1400	1351	6.11
11	A	1315	1269	3.18
12	A	1288	1243	4.87
13	A	1235	1192	7.75
14	A	1200	1158	19.74
15	A	1164	1123	77.70
16	A	1096	1058	23.18
17	A	1061	1024	3.08
18	A	1021	985	7.56
19	A	952	918	15.56
20	A	944	911	41.23
21	A	916	884	3.39
22	A	846	817	0.88
23	A	835	805	5.83
24	A	715	690	32.73
25	A	688	664	2.27
26	A	456	440	21.08
27	A	102	99	1.12

Atom	x (Å)	y (Å)	z (Å)
H1	0.966	2.120	0.090
C2	0.525	1.126	0.048
H3	2.273	-0.213	0.020
C4	1.198	-0.028	0.009
O5	0.434	-1.152	-0.074
H6	-1.358	1.145	-1.038
H7	-1.559	1.292	0.717
C8	-0.948	0.815	-0.066
H9	-1.539	-1.245	-0.680
H10	-1.278	-1.038	1.077
C11	-0.938	-0.720	0.076

	H1	C2	H3	C4	O5	H6	H7	C8	H9	H10	C11
H1		1.0880	2.6752	2.1621	3.3187	2.7609	2.7303	2.3210	4.2643	3.9973	3.4191
C2	1.0880		2.2016	1.3364	2.2827	2.1743	2.1958	1.5097	3.2264	2.9987	2.3559
H3	2.6752	2.2016		1.0902	2.0666	4.0186	4.1755	3.3817	4.0104	3.7953	3.2512
C4	2.1621	1.3364	1.0902		1.3616	3.0017	3.1381	2.3070	3.0737	2.8795	2.2468
O5	3.3187	2.2827	2.0666	1.3616		3.0690	3.2510	2.4038	2.0661	2.0660	1.4463
H6	2.7609	2.1743	4.0186	3.0017	3.0690		1.7729	1.1057	2.4232	3.0409	2.2132
H7	2.7303	2.1958	4.1755	3.1381	3.2510	1.7729		1.1021	2.8955	2.3738	2.2007
C8	2.3210	1.5097	3.3817	2.3070	2.4038	1.1057	1.1021		2.2290	2.2021	1.5419
H9	4.2643	3.2264	4.0104	3.0737	2.0661	2.4232	2.8955	2.2290		1.7884	1.0991
H10	3.9973	2.9987	3.7953	2.8795	2.0660	3.0409	2.3738	2.2021	1.7884		1.1036
C11	3.4191	2.3559	3.2512	2.2468	1.4463	2.2132	2.2007	1.5419	1.0991	1.1036

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H1	C2	C4	125.893	H1	C2	C8	125.854
C2	C4	H3	129.978	C2	C4	O5	115.573
C2	C8	H6	111.538	C2	C8	H7	113.512
C2	C8	C11	101.066	H3	C4	O5	114.442
C4	C2	C8	108.148	C4	O5	C11	106.255
O5	C11	C8	107.065	O5	C11	H9	107.743
O5	C11	H10	107.475	H6	C8	H7	106.839
H6	C8	C11	112.384	H7	C8	C11	111.606
C8	C11	H9	114.085	C8	C11	H10	111.626
H9	C11	H10	108.568

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

using model chemistry: B3PW91/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	0.006
2	C	-0.167
3	H	0.027
4	C	0.157
5	O	-0.285
6	H	0.053
7	H	0.049
8	C	-0.048
9	H	0.048
10	H	0.048
11	C	0.112

	x	y	z	Total
	-0.728	0.750	0.101	1.050
CHELPG
AIM
ESP

	x	y	z
x	0.000	0.000	0.000
y	0.000	0.000	0.000
z	0.000	0.000	0.000

<r²>	94.041
(<r²>)^1/2	9.697

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

using model chemistry: B3PW91/cc-pVDZ

States and conformations

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