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	hartrees
Energy at 0K	-303.380457
Energy at 298.15K	-303.385633
Nuclear repulsion energy	216.570758

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3474	3128	3.35
2	A	3364	3029	0.48
3	A	3359	3024	3.45
4	A	3283	2956	3.91
5	A	2053	1849	313.89
6	A	1906	1716	525.58
7	A	1609	1449	24.80
8	A	1568	1412	1.96
9	A	1387	1248	8.19
10	A	1348	1214	101.62
11	A	1239	1115	0.93
12	A	1132	1019	255.81
13	A	1115	1004	59.47
14	A	1071	964	50.94
15	A	1059	954	12.28
16	A	977	880	155.81
17	A	875	788	31.51
18	A	808	727	1.00
19	A	723	651	4.37
20	A	570	514	10.07
21	A	557	501	8.78
22	A	496	447	14.31
23	A	339	305	1.24
24	A	142	128	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	-2.279	-0.150	-0.000
H2	-2.696	-1.137	-0.000
H3	-2.948	0.687	-0.000
O4	0.043	-0.970	0.000
C5	1.062	-0.011	0.000
O6	2.241	-0.180	-0.000
C7	0.059	1.147	0.000
H8	0.096	1.764	-0.883
H9	0.096	1.764	0.884
C10	-0.977	0.034	0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0715	1.0714	2.4619	3.3434	4.5200	2.6733	3.1754	3.1754	1.3145
H2	1.0715		1.8410	2.7437	3.9225	5.0289	3.5783	4.1220	4.1220	2.0797
H3	1.0714	1.8410		3.4187	4.0702	5.2611	3.0420	3.3476	3.3478	2.0761
O4	2.4619	2.7437	3.4187		1.3987	2.3359	2.1165	2.8736	2.8734	1.4309
C5	3.3434	3.9225	4.0702	1.3987		1.1914	1.5322	2.2061	2.2060	2.0395
O6	4.5200	5.0289	5.2611	2.3359	1.1914		2.5540	3.0271	3.0271	3.2255
C7	2.6733	3.5783	3.0420	2.1165	1.5322	2.5540		1.0785	1.0785	1.5205
H8	3.1754	4.1220	3.3476	2.8736	2.2061	3.0271	1.0785		1.7670	2.2194
H9	3.1754	4.1220	3.3478	2.8734	2.2060	3.0271	1.0785	1.7670		2.2193
C10	1.3145	2.0797	2.0761	1.4309	2.0395	3.2255	1.5205	2.2194	2.2193

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	127.417	C1	C10	C7	141.000
H2	C1	H3	118.431	H2	C1	C10	120.952
H3	C1	C10	120.617	O4	C5	O6	128.633
O4	C5	C7	92.348	O4	C10	C7	91.583
C5	O4	C10	92.229	C5	C7	H8	114.233
C5	C7	H9	114.222	C5	C7	C10	83.840
O6	C5	C7	139.019	H8	C7	H9	110.015
H8	C7	C10	116.259	H9	C7	C10	116.245

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

using model chemistry: HF/SDD

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	C	-0.603
2	H	0.229
3	H	0.213
4	O	-0.490
5	C	0.468
6	O	-0.302
7	C	-0.590
8	H	0.256
9	H	0.256
10	C	0.563

	x	y	z	Total
	-3.664	3.446	0.000	5.029
CHELPG
AIM
ESP

	x	y	z
x	10.284	0.334	0.000
y	0.334	5.176	0.000
z	0.000	0.000	3.456

<r²>	148.076
(<r²>)^1/2	12.169

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

using model chemistry: HF/SDD

States and conformations

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