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	hartrees
Energy at 0K	-191.812615
Energy at 298.15K	-191.816747
HF Energy	-191.812615
Nuclear repulsion energy	109.202595

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3140	2991	2.11
2	A₁	2029	1932	311.25
3	A₁	1438	1369	4.17
4	A₁	1088	1037	0.16
5	A₁	1027	978	23.18
6	A₁	765	728	4.61
7	A₂	3229	3075	0.00
8	A₂	1167	1111	0.00
9	A₂	613	584	0.00
10	B₁	3240	3086	0.12
11	B₁	1111	1058	0.32
12	B₁	694	661	1.09
13	B₁	328	312	4.49
14	B₂	3140	2991	0.45
15	B₂	1416	1348	5.06
16	B₂	1077	1026	23.93
17	B₂	962	917	99.92
18	B₂	520	495	2.30

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.410
O2	0.000	0.000	1.677
C3	0.000	0.802	-0.841
C4	0.000	-0.802	-0.841
H5	0.809	0.725	-1.447
H6	-0.809	0.725	-1.447
H7	-0.809	-0.725	-1.447
H8	0.809	-0.725	-1.447

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2674	1.4851	1.4851	2.1506	2.1506	2.1506	2.1506
O2	1.2674		2.6422	2.6422	3.3071	3.3071	3.3071	3.3071
C3	1.4851	2.6422		1.6031	1.0134	1.0134	1.8304	1.8304
C4	1.4851	2.6422	1.6031		1.8304	1.8304	1.0134	1.0134
H5	2.1506	3.3071	1.0134	1.8304		1.6171	2.1714	1.4492
H6	2.1506	3.3071	1.0134	1.8304	1.6171		1.4492	2.1714
H7	2.1506	3.3071	1.8304	1.0134	2.1714	1.4492		1.6171
H8	2.1506	3.3071	1.8304	1.0134	1.4492	2.1714	1.6171

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.336	C1	C3	H5	117.551
C1	C3	H6	117.551	C1	C4	C3	57.336
C1	C4	H7	117.551	C1	C4	H8	117.551
O2	C1	C3	147.336	O2	C1	C4	147.336
C3	C1	C4	65.327	C3	C4	H7	85.646
C3	C4	H8	85.646	C4	C3	H5	85.646
C4	C3	H6	85.646	H5	C3	H6	105.845
H7	C4	H8	105.845

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: M06-2X/6-31G(2df,p)

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	0.461
2	O	-0.296
3	C	-0.413
4	C	-0.413
5	H	0.165
6	H	0.165
7	H	0.165
8	H	0.165

	x	y	z	Total
	0.000	0.000	-2.733	2.733
CHELPG
AIM
ESP

<r²>	66.909
(<r²>)^1/2	8.180

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: M06-2X/6-31G(2df,p)

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)