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	hartrees
Energy at 0K	-305.153228
Energy at 298.15K	-305.157890
HF Energy	-305.153228
Nuclear repulsion energy	214.742049

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3195	3169	2.53
2	A	3113	3088	0.01
3	A	3057	3032	2.56
4	A	3011	2986	3.97
5	A	1896	1880	302.29
6	A	1717	1703	234.16
7	A	1437	1425	7.66
8	A	1407	1395	3.45
9	A	1217	1207	69.91
10	A	1181	1171	0.46
11	A	1087	1078	0.47
12	A	977	969	107.04
13	A	960	953	3.04
14	A	951	944	0.98
15	A	846	840	136.47
16	A	811	804	51.04
17	A	779	773	48.81
18	A	711	705	0.03
19	A	649	644	0.18
20	A	503	499	2.28
21	A	490	486	2.16
22	A	446	442	3.60
23	A	304	302	0.72
24	A	135	134	0.89

Atom	x (Å)	y (Å)	z (Å)
C1	-2.285	-0.161	-0.000
H2	-2.713	-1.165	-0.000
H3	-2.965	0.691	0.000
O4	0.043	-0.971	-0.000
C5	1.061	-0.011	0.000
O6	2.247	-0.190	-0.000
C7	0.054	1.168	0.000
H8	0.086	1.800	-0.900
H9	0.086	1.800	0.900
C10	-0.965	0.031	0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0915	1.0903	2.4648	3.3497	4.5322	2.6900	3.2059	3.2060	1.3338
H2	1.0915		1.8731	2.7631	3.9470	5.0550	3.6192	4.1758	4.1759	2.1181
H3	1.0903	1.8731		3.4368	4.0873	5.2864	3.0565	3.3691	3.3693	2.1063
O4	2.4648	2.7631	3.4368		1.3994	2.3380	2.1386	2.9135	2.9134	1.4213
C5	3.3497	3.9470	4.0873	1.3994		1.1993	1.5506	2.2451	2.2447	2.0269
O6	4.5322	5.0550	5.2864	2.3380	1.1993		2.5798	3.0728	3.0725	3.2198
C7	2.6900	3.6192	3.0565	2.1386	1.5506	2.5798		1.1003	1.1003	1.5266
H8	3.2059	4.1758	3.3691	2.9135	2.2451	3.0728	1.1003		1.8001	2.2460
H9	3.2060	4.1759	3.3693	2.9134	2.2447	3.0725	1.1003	1.8001		2.2459
C10	1.3338	2.1181	2.1063	1.4213	2.0269	3.2198	1.5266	2.2460	2.2459

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	126.902	C1	C10	C7	140.152
H2	C1	H3	118.300	H2	C1	C10	121.376
H3	C1	C10	120.324	O4	C5	O6	128.070
O4	C5	C7	92.786	O4	C10	C7	92.946
C5	O4	C10	91.872	C5	C7	H8	114.693
C5	C7	H9	114.664	C5	C7	C10	82.396
O6	C5	C7	139.144	H8	C7	H9	109.771
H8	C7	C10	116.581	H9	C7	C10	116.576

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

using model chemistry: BLYP/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	C	-0.427
2	H	0.148
3	H	0.139
4	O	-0.420
5	C	0.569
6	O	-0.393
7	C	-0.454
8	H	0.188
9	H	0.188
10	C	0.464

	x	y	z	Total
	-2.443	2.197	0.000	3.286
CHELPG
AIM
ESP

	x	y	z
x	10.664	0.340	0.000
y	0.340	5.987	0.000
z	0.000	0.000	3.623

<r²>	148.501
(<r²>)^1/2	12.186

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

using model chemistry: BLYP/6-31G*

States and conformations

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