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	hartrees
Energy at 0K	-305.124295
Energy at 298.15K	-305.129178
Nuclear repulsion energy	218.391565

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3319	3151	0.76
2	A	3226	3062	0.60
3	A	3191	3029	0.23
4	A	3133	2974	1.60
5	A	2016	1913	379.42
6	A	1819	1727	270.90
7	A	1469	1395	11.86
8	A	1439	1366	3.69
9	A	1313	1247	99.68
10	A	1224	1162	1.24
11	A	1127	1070	0.80
12	A	1068	1013	184.55
13	A	1016	964	7.87
14	A	996	945	6.62
15	A	938	890	115.18
16	A	866	822	59.52
17	A	842	800	9.80
18	A	744	706	0.00
19	A	685	650	1.11
20	A	535	507	3.73
21	A	514	488	4.09
22	A	462	439	4.04
23	A	320	304	0.76
24	A	134	127	1.03

Atom	x (Å)	y (Å)	z (Å)
C1	-2.253	-0.156	-0.000
H2	-2.673	-1.153	-0.000
H3	-2.924	0.692	-0.000
O4	0.041	-0.961	0.000
C5	1.042	-0.007	-0.000
O6	2.214	-0.187	-0.000
C7	0.054	1.148	0.000
H8	0.090	1.773	-0.893
H9	0.090	1.773	0.893
C10	-0.948	0.032	0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0819	1.0813	2.4311	3.2985	4.4672	2.6498	3.1633	3.1633	1.3180
H2	1.0819		1.8615	2.7211	3.8882	4.9821	3.5681	4.1222	4.1222	2.0926
H3	1.0813	1.8615		3.3947	4.0275	5.2129	3.0127	3.3242	3.3242	2.0831
O4	2.4311	2.7211	3.3947		1.3830	2.3069	2.1093	2.8769	2.8769	1.4017
C5	3.2985	3.8882	4.0275	1.3830		1.1856	1.5205	2.2080	2.2079	1.9910
O6	4.4672	4.9821	5.2129	2.3069	1.1856		2.5397	3.0256	3.0256	3.1701
C7	2.6498	3.5681	3.0127	2.1093	1.5205	2.5397		1.0909	1.0909	1.5001
H8	3.1633	4.1222	3.3242	2.8769	2.2080	3.0256	1.0909		1.7869	2.2153
H9	3.1633	4.1222	3.3242	2.8769	2.2079	3.0256	1.0909	1.7869		2.2153
C10	1.3180	2.0926	2.0831	1.4017	1.9910	3.1701	1.5001	2.2153	2.2153

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	126.706	C1	C10	C7	140.102
H2	C1	H3	118.754	H2	C1	C10	121.060
H3	C1	C10	120.185	O4	C5	O6	127.660
O4	C5	C7	93.062	O4	C10	C7	93.192
C5	O4	C10	91.281	C5	C7	H8	114.451
C5	C7	H9	114.448	C5	C7	C10	82.465
O6	C5	C7	139.278	H8	C7	H9	109.970
H8	C7	C10	116.632	H9	C7	C10	116.630

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

using model chemistry: B1B95/6-31G*

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	-0.491
2	H	0.189
3	H	0.179
4	O	-0.462
5	C	0.633
6	O	-0.426
7	C	-0.533
8	H	0.231
9	H	0.231
10	C	0.450

	x	y	z	Total
	-2.636	2.307	0.000	3.503
CHELPG
AIM
ESP

	x	y	z
x	10.049	0.334	0.000
y	0.334	5.695	0.000
z	0.000	0.000	3.550

<r²>	144.239
(<r²>)^1/2	12.010

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

using model chemistry: B1B95/6-31G*

States and conformations

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