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	hartrees
Energy at 0K	-303.329738
Energy at 298.15K	-303.334919
Nuclear repulsion energy	217.413035

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3456	3120	1.68
2	A	3362	3036	0.89
3	A	3325	3002	0.32
4	A	3265	2948	1.39
5	A	2070	1869	276.69
6	A	1925	1738	454.82
7	A	1605	1449	16.56
8	A	1579	1426	2.71
9	A	1392	1257	11.07
10	A	1353	1221	93.45
11	A	1249	1127	0.69
12	A	1140	1030	218.73
13	A	1118	1009	55.17
14	A	1074	969	44.19
15	A	1060	957	10.89
16	A	967	873	159.34
17	A	876	791	29.48
18	A	806	728	2.09
19	A	725	655	5.07
20	A	564	509	7.30
21	A	556	502	7.56
22	A	487	440	11.08
23	A	343	309	1.18
24	A	142	128	0.50

Atom	x (Å)	y (Å)	z (Å)
C1	-2.268	-0.150	-0.000
H2	-2.679	-1.138	-0.000
H3	-2.943	0.681	-0.000
O4	0.043	-0.966	0.000
C5	1.055	-0.011	0.000
O6	2.231	-0.180	-0.000
C7	0.060	1.142	0.000
H8	0.097	1.761	-0.885
H9	0.097	1.760	0.885
C10	-0.974	0.037	0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0705	1.0707	2.4506	3.3255	4.4986	2.6620	3.1663	3.1663	1.3070
H2	1.0705		1.8385	2.7269	3.9000	5.0021	3.5636	4.1099	4.1100	2.0704
H3	1.0707	1.8385		3.4101	4.0574	5.2449	3.0379	3.3452	3.3454	2.0715
O4	2.4506	2.7269	3.4101		1.3917	2.3250	2.1088	2.8675	2.8673	1.4287
C5	3.3255	3.9000	4.0574	1.3917		1.1879	1.5234	2.1997	2.1996	2.0296
O6	4.4986	5.0021	5.2449	2.3250	1.1879		2.5421	3.0166	3.0167	3.2123
C7	2.6620	3.5636	3.0379	2.1088	1.5234	2.5421		1.0799	1.0800	1.5134
H8	3.1663	4.1099	3.3452	2.8675	2.1997	3.0166	1.0799		1.7693	2.2139
H9	3.1663	4.1100	3.3454	2.8673	2.1996	3.0167	1.0800	1.7693		2.2137
C10	1.3070	2.0704	2.0715	1.4287	2.0296	3.2123	1.5134	2.2139	2.2137

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	127.160	C1	C10	C7	141.311
H2	C1	H3	118.325	H2	C1	C10	120.796
H3	C1	C10	120.879	O4	C5	O6	128.485
O4	C5	C7	92.556	O4	C10	C7	91.529
C5	O4	C10	92.036	C5	C7	H8	114.253
C5	C7	H9	114.243	C5	C7	C10	83.878
O6	C5	C7	138.959	H8	C7	H9	110.004
H8	C7	C10	116.231	H9	C7	C10	116.217

All results from a given calculation for C₄H₄O₂ (2-Oxetanone, 4-methylene-)

using model chemistry: HF/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	CHELPG
1	C	-0.437	-0.644
2	H	0.211	0.260
3	H	0.191	0.229
4	O	-0.670	-0.575
5	C	0.760	0.973
6	O	-0.488	-0.628
7	C	-0.479	-0.338
8	H	0.250	0.126
9	H	0.250	0.126
10	C	0.414	0.471

	x	y	z	Total
	-3.592	3.358	0.000	4.917
CHELPG	-3.654	3.316	0.000	4.934
AIM
ESP

	x	y	z
x	9.966	0.340	0.000
y	0.340	5.164	0.000
z	0.000	0.000	3.136

<r²>	146.698
(<r²>)^1/2	12.112

All results from a given calculation for C4H4O2 (2-Oxetanone, 4-methylene-)

using model chemistry: HF/6-31G

States and conformations

All results from a given calculation for C₄H₄O₂ (2-Oxetanone, 4-methylene-)