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	hartrees
Energy at 0K	-191.747389
Energy at 298.15K	-191.751513
HF Energy	-191.747389
Nuclear repulsion energy	109.320989

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3133	3011	1.18
2	A₁	1975	1898	341.97
3	A₁	1427	1372	5.15
4	A₁	1078	1036	1.50
5	A₁	1016	977	27.01
6	A₁	750	721	4.52
7	A₂	3213	3088	0.00
8	A₂	1167	1121	0.00
9	A₂	619	595	0.00
10	B₁	3226	3101	0.95
11	B₁	1104	1061	0.18
12	B₁	701	673	1.29
13	B₁	316	304	3.98
14	B₂	3133	3011	1.65
15	B₂	1409	1354	7.77
16	B₂	1073	1031	22.82
17	B₂	965	928	104.64
18	B₂	516	496	1.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.382
O2	0.000	0.000	1.573
C3	0.000	0.780	-0.854
C4	0.000	-0.780	-0.854
H5	0.912	1.282	-1.155
H6	-0.912	1.282	-1.155
H7	-0.912	-1.282	-1.155
H8	0.912	-1.282	-1.155

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.1910	1.4615	1.4615	2.1993	2.1993	2.1993	2.1993
O2	1.1910		2.5493	2.5493	3.1489	3.1489	3.1489	3.1489
C3	1.4615	2.5493		1.5594	1.0840	1.0840	2.2747	2.2747
C4	1.4615	2.5493	1.5594		2.2747	2.2747	1.0840	1.0840
H5	2.1993	3.1489	1.0840	2.2747		1.8247	3.1473	2.5644
H6	2.1993	3.1489	1.0840	2.2747	1.8247		2.5644	3.1473
H7	2.1993	3.1489	2.2747	1.0840	3.1473	2.5644		1.8247
H8	2.1993	3.1489	2.2747	1.0840	2.5644	3.1473	1.8247

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.757	C1	C3	H5	118.794
C1	C3	H6	118.794	C1	C4	C3	57.757
C1	C4	H7	118.794	C1	C4	H8	118.794
O2	C1	C3	147.757	O2	C1	C4	147.757
C3	C1	C4	64.486	C3	C4	H7	117.617
C3	C4	H8	117.617	C4	C3	H5	117.617
C4	C3	H6	117.617	H5	C3	H6	114.626
H7	C4	H8	114.626

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: HSEh1PBE/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	0.224
2	O	-0.220
3	C	-0.240
4	C	-0.240
5	H	0.119
6	H	0.119
7	H	0.119
8	H	0.119

	x	y	z	Total
	0.000	0.000	-2.870	2.870
CHELPG
AIM
ESP

<r²>	66.980
(<r²>)^1/2	8.184

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)