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	hartrees
Energy at 0K	-190.790291
Energy at 298.15K	-190.794667
HF Energy	-190.790291
Nuclear repulsion energy	110.077168

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3266	2967	0.52
2	A₁	2128	1933	442.13
3	A₁	1568	1425	1.31
4	A₁	1145	1041	16.59
5	A₁	1122	1020	0.69
6	A₁	778	707	11.46
7	A₂	3345	3039	0.00
8	A₂	1264	1148	0.00
9	A₂	717	652	0.00
10	B₁	3358	3051	6.16
11	B₁	1220	1108	0.48
12	B₁	762	693	0.35
13	B₁	372	338	9.68
14	B₂	3262	2964	4.89
15	B₂	1544	1403	6.24
16	B₂	1196	1087	13.66
17	B₂	1061	964	129.04
18	B₂	553	502	4.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.384
O2	0.000	0.000	1.557
C3	0.000	0.780	-0.848
C4	0.000	-0.780	-0.848
H5	0.908	1.276	-1.143
H6	-0.908	1.276	-1.143
H7	-0.908	-1.276	-1.143
H8	0.908	-1.276	-1.143

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.1731	1.4579	1.4579	2.1870	2.1870	2.1870	2.1870
O2	1.1731		2.5282	2.5282	3.1211	3.1211	3.1211	3.1211
C3	1.4579	2.5282		1.5591	1.0759	1.0759	2.2661	2.2661
C4	1.4579	2.5282	1.5591		2.2661	2.2661	1.0759	1.0759
H5	2.1870	3.1211	1.0759	2.2661		1.8160	3.1316	2.5513
H6	2.1870	3.1211	1.0759	2.2661	1.8160		2.5513	3.1316
H7	2.1870	3.1211	2.2661	1.0759	3.1316	2.5513		1.8160
H8	2.1870	3.1211	2.2661	1.0759	2.5513	3.1316	1.8160

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.674	C1	C3	H5	118.565
C1	C3	H6	118.565	C1	C4	C3	57.674
C1	C4	H7	118.565	C1	C4	H8	118.565
O2	C1	C3	147.674	O2	C1	C4	147.674
C3	C1	C4	64.651	C3	C4	H7	117.458
C3	C4	H8	117.458	C4	C3	H5	117.458
C4	C3	H6	117.458	H5	C3	H6	115.122
H7	C4	H8	115.122

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: HF/TZVP

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	0.360
2	O	-0.353
3	C	-0.269
4	C	-0.269
5	H	0.133
6	H	0.133
7	H	0.133
8	H	0.133

	x	y	z	Total
	0.000	0.000	-3.270	3.270
CHELPG
AIM
ESP

<r²>	66.507
(<r²>)^1/2	8.155

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: HF/TZVP

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)