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	hartrees
Energy at 0K	-190.798900
Energy at 298.15K	-190.803251
HF Energy	-190.798900
Nuclear repulsion energy	110.107119

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3261	2950	0.47
2	A₁	2121	1918	445.77
3	A₁	1565	1416	0.76
4	A₁	1141	1032	12.40
5	A₁	1121	1014	1.29
6	A₁	778	704	9.73
7	A₂	3338	3019	0.00
8	A₂	1262	1142	0.00
9	A₂	701	634	0.00
10	B₁	3351	3032	5.79
11	B₁	1213	1098	0.19
12	B₁	752	680	0.35
13	B₁	373	337	8.22
14	B₂	3257	2946	5.30
15	B₂	1543	1395	5.63
16	B₂	1191	1078	15.47
17	B₂	1054	953	111.04
18	B₂	552	499	4.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.384
O2	0.000	0.000	1.556
C3	0.000	0.780	-0.848
C4	0.000	-0.780	-0.848
H5	0.907	1.275	-1.143
H6	-0.907	1.275	-1.143
H7	-0.907	-1.275	-1.143
H8	0.907	-1.275	-1.143

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.1726	1.4580	1.4580	2.1861	2.1861	2.1861	2.1861
O2	1.1726		2.5280	2.5280	3.1199	3.1199	3.1199	3.1199
C3	1.4580	2.5280		1.5590	1.0745	1.0745	2.2653	2.2653
C4	1.4580	2.5280	1.5590		2.2653	2.2653	1.0745	1.0745
H5	2.1861	3.1199	1.0745	2.2653		1.8134	3.1297	2.5508
H6	2.1861	3.1199	1.0745	2.2653	1.8134		2.5508	3.1297
H7	2.1861	3.1199	2.2653	1.0745	3.1297	2.5508		1.8134
H8	2.1861	3.1199	2.2653	1.0745	2.5508	3.1297	1.8134

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.681	C1	C3	H5	118.565
C1	C3	H6	118.565	C1	C4	C3	57.681
C1	C4	H7	118.565	C1	C4	H8	118.565
O2	C1	C3	147.681	O2	C1	C4	147.681
C3	C1	C4	64.638	C3	C4	H7	117.484
C3	C4	H8	117.484	C4	C3	H5	117.484
C4	C3	H6	117.484	H5	C3	H6	115.090
H7	C4	H8	115.090

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: HF/daug-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	0.404
2	O	-1.228
3	C	-0.887
4	C	-0.887
5	H	0.649
6	H	0.649
7	H	0.649
8	H	0.649

	x	y	z	Total
	0.000	0.000	-3.269	3.269
CHELPG
AIM
ESP

<r²>	66.465
(<r²>)^1/2	8.153

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: HF/daug-cc-pVTZ

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)