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	hartrees
Energy at 0K	-305.128165
Energy at 298.15K	-305.133032
Nuclear repulsion energy	217.598910

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3298	3161	0.61
2	A	3201	3068	0.53
3	A	3166	3035	0.27
4	A	3106	2977	1.97
5	A	1994	1911	365.64
6	A	1796	1722	270.30
7	A	1448	1388	11.41
8	A	1422	1363	4.16
9	A	1292	1238	93.83
10	A	1210	1160	1.30
11	A	1115	1069	0.78
12	A	1045	1001	165.69
13	A	1004	962	10.72
14	A	985	944	6.14
15	A	921	882	126.41
16	A	856	820	58.97
17	A	829	795	12.68
18	A	737	706	0.01
19	A	680	652	0.81
20	A	530	508	3.46
21	A	511	490	3.83
22	A	460	441	4.25
23	A	318	305	0.69
24	A	136	130	1.02

Atom	x (Å)	y (Å)	z (Å)
C1	-2.260	-0.156	-0.000
H2	-2.683	-1.154	-0.000
H3	-2.930	0.695	-0.000
O4	0.041	-0.966	0.000
C5	1.048	-0.005	0.000
O6	2.223	-0.186	-0.000
C7	0.052	1.151	0.000
H8	0.087	1.778	-0.895
H9	0.087	1.777	0.895
C10	-0.952	0.031	0.000

	C1	H2	H3	O4	C5	O6	C7	H8	H9	C10
C1		1.0834	1.0829	2.4398	3.3121	4.4837	2.6564	3.1699	3.1698	1.3215
H2	1.0834		1.8651	2.7298	3.9036	5.0002	3.5765	4.1306	4.1304	2.0969
H3	1.0829	1.8651		3.4041	4.0399	5.2284	3.0174	3.3280	3.3282	2.0869
O4	2.4398	2.7298	3.4041		1.3923	2.3175	2.1174	2.8865	2.8861	1.4069
C5	3.3121	3.9036	4.0399	1.3923		1.1888	1.5262	2.2146	2.2142	2.0007
O6	4.4837	5.0002	5.2284	2.3175	1.1888		2.5499	3.0368	3.0368	3.1827
C7	2.6564	3.5765	3.0174	2.1174	1.5262	2.5499		1.0930	1.0930	1.5048
H8	3.1699	4.1306	3.3280	2.8865	2.2146	3.0368	1.0930		1.7902	2.2209
H9	3.1698	4.1304	3.3282	2.8861	2.2142	3.0368	1.0930	1.7902		2.2207
C10	1.3215	2.0969	2.0869	1.4069	2.0007	3.1827	1.5048	2.2209	2.2207

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C10	O4	126.783	C1	C10	C7	139.974
H2	C1	H3	118.845	H2	C1	C10	121.039
H3	C1	C10	120.117	O4	C5	O6	127.586
O4	C5	C7	92.907	O4	C10	C7	93.242
C5	O4	C10	91.242	C5	C7	H8	114.440
C5	C7	H9	114.412	C5	C7	C10	82.608
O6	C5	C7	139.507	H8	C7	H9	109.962
H8	C7	C10	116.613	H9	C7	C10	116.588

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

using model chemistry: B3PW91/6-31G**

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	-0.404
2	H	0.154
3	H	0.143
4	O	-0.457
5	C	0.625
6	O	-0.428
7	C	-0.448
8	H	0.196
9	H	0.196
10	C	0.424

	x	y	z	Total
	-2.607	2.318	0.000	3.488
CHELPG
AIM
ESP

<r²>	145.133
(<r²>)^1/2	12.047

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

using model chemistry: B3PW91/6-31G**

States and conformations

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