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	hartrees
Energy at 0K	-190.844827
Energy at 298.15K	-190.848836
Nuclear repulsion energy	108.734065

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3069	3012	3.07
2	A₁	1963	1926	282.28
3	A₁	1389	1363	9.48
4	A₁	1081	1061	0.14
5	A₁	987	968	43.75
6	A₁	747	733	4.75
7	A₂	3147	3088	0.00
8	A₂	1133	1112	0.00
9	A₂	591	580	0.00
10	B₁	3159	3100	0.00
11	B₁	1069	1049	1.04
12	B₁	688	675	3.58
13	B₁	302	296	3.70
14	B₂	3070	3013	0.16
15	B₂	1368	1342	10.63
16	B₂	1043	1023	37.30
17	B₂	947	929	99.65
18	B₂	499	490	0.76

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.382
O2	0.000	0.000	1.585
C3	0.000	0.777	-0.859
C4	0.000	-0.777	-0.859
H5	0.919	1.293	-1.164
H6	-0.919	1.293	-1.164
H7	-0.919	-1.293	-1.164
H8	0.919	-1.293	-1.164

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2030	1.4638	1.4638	2.2150	2.2150	2.2150	2.2150
O2	1.2030		2.5642	2.5642	3.1738	3.1738	3.1738	3.1738
C3	1.4638	2.5642		1.5535	1.0974	1.0974	2.2851	2.2851
C4	1.4638	2.5642	1.5535		2.2851	2.2851	1.0974	1.0974
H5	2.2150	3.1738	1.0974	2.2851		1.8383	3.1728	2.5859
H6	2.2150	3.1738	1.0974	2.2851	1.8383		2.5859	3.1728
H7	2.2150	3.1738	2.2851	1.0974	3.1728	2.5859		1.8383
H8	2.2150	3.1738	2.2851	1.0974	2.5859	3.1728	1.8383

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.951	C1	C3	H5	119.027
C1	C3	H6	119.027	C1	C4	C3	57.951
C1	C4	H7	119.027	C1	C4	H8	119.027
O2	C1	C3	147.951	O2	C1	C4	147.951
C3	C1	C4	64.098	C3	C4	H7	118.058
C3	C4	H8	118.058	C4	C3	H5	118.058
C4	C3	H6	118.058	H5	C3	H6	113.764
H7	C4	H8	113.764

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: LSDA/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	0.363
2	O	-0.345
3	C	-0.437
4	C	-0.437
5	H	0.214
6	H	0.214
7	H	0.214
8	H	0.214

	x	y	z	Total
	0.000	0.000	-2.762	2.762
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: LSDA/6-31G*

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)