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	hartrees
Energy at 0K	-191.650978
Energy at 298.15K	-191.654966
HF Energy	-191.650978
Nuclear repulsion energy	107.814875

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3063	3019	0.65
2	A₁	1902	1874	266.71
3	A₁	1406	1386	5.66
4	A₁	1047	1032	0.81
5	A₁	991	977	32.81
6	A₁	724	713	3.12
7	A₂	3138	3093	0.00
8	A₂	1140	1124	0.00
9	A₂	606	597	0.00
10	B₁	3151	3106	2.92
11	B₁	1074	1058	0.47
12	B₁	690	680	2.36
13	B₁	295	290	3.58
14	B₂	3063	3019	3.12
15	B₂	1391	1371	4.86
16	B₂	1034	1020	22.13
17	B₂	928	915	108.57
18	B₂	492	485	0.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.387
O2	0.000	0.000	1.599
C3	0.000	0.787	-0.868
C4	0.000	-0.787	-0.868
H5	0.920	1.299	-1.176
H6	-0.920	1.299	-1.176
H7	-0.920	-1.299	-1.176
H8	0.920	-1.299	-1.176

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2123	1.4807	1.4807	2.2305	2.2305	2.2305	2.2305
O2	1.2123		2.5891	2.5891	3.1989	3.1989	3.1989	3.1989
C3	1.4807	2.5891		1.5733	1.0971	1.0971	2.3002	2.3002
C4	1.4807	2.5891	1.5733		2.3002	2.3002	1.0971	1.0971
H5	2.2305	3.1989	1.0971	2.3002		1.8397	3.1834	2.5980
H6	2.2305	3.1989	1.0971	2.3002	1.8397		2.5980	3.1834
H7	2.2305	3.1989	2.3002	1.0971	3.1834	2.5980		1.8397
H8	2.2305	3.1989	2.3002	1.0971	2.5980	3.1834	1.8397

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.908	C1	C3	H5	119.083
C1	C3	H6	119.083	C1	C4	C3	57.908
C1	C4	H7	119.083	C1	C4	H8	119.083
O2	C1	C3	147.908	O2	C1	C4	147.908
C3	C1	C4	64.183	C3	C4	H7	117.841
C3	C4	H8	117.841	C4	C3	H5	117.841
C4	C3	H6	117.841	H5	C3	H6	113.954
H7	C4	H8	113.954

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: PBEPBE/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	0.385
2	O	-0.368
3	C	-0.402
4	C	-0.402
5	H	0.197
6	H	0.197
7	H	0.197
8	H	0.197

	x	y	z	Total
	0.000	0.000	-2.665	2.665
CHELPG
AIM
ESP

<r²>	68.237
(<r²>)^1/2	8.261

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: PBEPBE/6-31G*

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)