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	hartrees
Energy at 0K	-303.379666
Energy at 298.15K	-303.384840
Nuclear repulsion energy	216.559921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3476	3128	3.55
2	A	3366	3029	0.47
3	A	3361	3025	3.80
4	A	3285	2956	4.12
5	A	2053	1847	310.61
6	A	1906	1715	526.19
7	A	1609	1448	24.65
8	A	1568	1411	1.95
9	A	1387	1248	8.14
10	A	1348	1213	101.01
11	A	1238	1114	0.94
12	A	1133	1019	255.83
13	A	1115	1003	58.66
14	A	1071	964	51.39
15	A	1059	953	12.61
16	A	978	880	154.46
17	A	876	788	31.53
18	A	807	727	1.01
19	A	723	650	4.41
20	A	571	514	10.05
21	A	557	501	8.81
22	A	496	446	14.37
23	A	339	305	1.26
24	A	142	128	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	-2.279	-0.150	-0.000
H2	-2.697	-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	2.4625	3.3437	4.5205	2.6737	3.1758	3.1758	1.3150
H2	1.0715		1.8410	2.7444	3.9231	5.0296	3.5788	4.1225	4.1225	2.0801
H3	1.0714	1.8410		3.4191	4.0702	5.2613	3.0421	3.3478	3.3480	2.0764
O4	2.4625	2.7444	3.4191		1.3986	2.3359	2.1165	2.8737	2.8735	1.4309
C5	3.3437	3.9231	4.0702	1.3986		1.1915	1.5320	2.2060	2.2059	2.0393
O6	4.5205	5.0296	5.2613	2.3359	1.1915		2.5539	3.0269	3.0270	3.2254
C7	2.6737	3.5788	3.0421	2.1165	1.5320	2.5539		1.0785	1.0785	1.5206
H8	3.1758	4.1225	3.3478	2.8737	2.2060	3.0269	1.0785		1.7669	2.2196
H9	3.1758	4.1225	3.3480	2.8735	2.2059	3.0270	1.0785	1.7669		2.2194
C10	1.3150	2.0801	2.0764	1.4309	2.0393	3.2254	1.5206	2.2196	2.2194

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	127.430	C1	C10	C7	140.987
H2	C1	H3	118.437	H2	C1	C10	120.956
H3	C1	C10	120.608	O4	C5	O6	128.630
O4	C5	C7	92.360	O4	C10	C7	91.582
C5	O4	C10	92.223	C5	C7	H8	114.235
C5	C7	H9	114.225	C5	C7	C10	83.835
O6	C5	C7	139.009	H8	C7	H9	110.004
H8	C7	C10	116.265	H9	C7	C10	116.251

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

using model chemistry: HF/LANL2DZ

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	-0.582
2	H	0.227
3	H	0.212
4	O	-0.486
5	C	0.456
6	O	-0.300
7	C	-0.565
8	H	0.253
9	H	0.253
10	C	0.532

	x	y	z	Total
	-3.667	3.446	0.000	5.032
CHELPG
AIM
ESP

	x	y	z
x	10.289	0.334	0.000
y	0.334	5.177	0.000
z	0.000	0.000	3.435

<r²>	148.099
(<r²>)^1/2	12.170

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

using model chemistry: HF/LANL2DZ

States and conformations

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