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	hartrees
Energy at 0K	-190.923558
Energy at 298.15K	-190.927563
HF Energy	-190.923558
Nuclear repulsion energy	109.345448

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3047	3014	3.69
2	A₁	1939	1918	331.55
3	A₁	1353	1338	10.29
4	A₁	1070	1058	0.98
5	A₁	962	951	38.42
6	A₁	742	734	4.11
7	A₂	3127	3093	0.00
8	A₂	1119	1107	0.00
9	A₂	577	571	0.00
10	B₁	3140	3106	0.52
11	B₁	1055	1043	0.34
12	B₁	676	669	2.31
13	B₁	296	293	3.06
14	B₂	3047	3014	0.00
15	B₂	1332	1318	13.22
16	B₂	1026	1014	35.42
17	B₂	934	924	94.86
18	B₂	501	496	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.378
O2	0.000	0.000	1.573
C3	0.000	0.776	-0.853
C4	0.000	-0.776	-0.853
H5	0.918	1.286	-1.155
H6	-0.918	1.286	-1.155
H7	-0.918	-1.286	-1.155
H8	0.918	-1.286	-1.155

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.1945	1.4549	1.4549	2.2012	2.2012	2.2012	2.2012
O2	1.1945		2.5464	2.5464	3.1518	3.1518	3.1518	3.1518
C3	1.4549	2.5464		1.5516	1.0928	1.0928	2.2768	2.2768
C4	1.4549	2.5464	1.5516		2.2768	2.2768	1.0928	1.0928
H5	2.2012	3.1518	1.0928	2.2768		1.8364	3.1598	2.5714
H6	2.2012	3.1518	1.0928	2.2768	1.8364		2.5714	3.1598
H7	2.2012	3.1518	2.2768	1.0928	3.1598	2.5714		1.8364
H8	2.2012	3.1518	2.2768	1.0928	2.5714	3.1598	1.8364

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.775	C1	C3	H5	118.852
C1	C3	H6	118.852	C1	C4	C3	57.775
C1	C4	H7	118.852	C1	C4	H8	118.852
O2	C1	C3	147.775	O2	C1	C4	147.775
C3	C1	C4	64.451	C3	C4	H7	117.813
C3	C4	H8	117.813	C4	C3	H5	117.813
C4	C3	H6	117.813	H5	C3	H6	114.325
H7	C4	H8	114.325

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: LSDA/cc-pVTZ

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	0.197
2	O	-0.179
3	C	-0.281
4	C	-0.281
5	H	0.136
6	H	0.136
7	H	0.136
8	H	0.136

	x	y	z	Total
	0.000	0.000	-2.857	2.857
CHELPG
AIM
ESP

<r²>	66.990
(<r²>)^1/2	8.185

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: LSDA/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)