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	hartrees
Energy at 0K	-191.854868
Energy at 298.15K	-191.858987
HF Energy	-191.854868
Nuclear repulsion energy	109.227372

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3131	3006	0.85
2	A₁	1979	1900	331.08
3	A₁	1427	1370	5.62
4	A₁	1080	1037	0.65
5	A₁	1015	974	31.56
6	A₁	752	722	5.85
7	A₂	3212	3084	0.00
8	A₂	1162	1116	0.00
9	A₂	615	591	0.00
10	B₁	3225	3097	2.68
11	B₁	1101	1057	0.26
12	B₁	701	673	1.56
13	B₁	320	307	3.94
14	B₂	3130	3005	2.43
15	B₂	1405	1349	8.14
16	B₂	1068	1026	25.32
17	B₂	960	921	112.20
18	B₂	515	495	1.60

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.383
O2	0.000	0.000	1.575
C3	0.000	0.780	-0.856
C4	0.000	-0.780	-0.856
H5	0.912	1.282	-1.157
H6	-0.912	1.282	-1.157
H7	-0.912	-1.282	-1.157
H8	0.912	-1.282	-1.157

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.1916	1.4639	1.4639	2.2019	2.2019	2.2019	2.2019
O2	1.1916		2.5526	2.5526	3.1527	3.1527	3.1527	3.1527
C3	1.4639	2.5526		1.5595	1.0840	1.0840	2.2747	2.2747
C4	1.4639	2.5526	1.5595		2.2747	2.2747	1.0840	1.0840
H5	2.2019	3.1527	1.0840	2.2747		1.8241	3.1469	2.5643
H6	2.2019	3.1527	1.0840	2.2747	1.8241		2.5643	3.1469
H7	2.2019	3.1527	2.2747	1.0840	3.1469	2.5643		1.8241
H8	2.2019	3.1527	2.2747	1.0840	2.5643	3.1469	1.8241

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.815	C1	C3	H5	118.830
C1	C3	H6	118.830	C1	C4	C3	57.815
C1	C4	H7	118.830	C1	C4	H8	118.830
O2	C1	C3	147.815	O2	C1	C4	147.815
C3	C1	C4	64.370	C3	C4	H7	117.610
C3	C4	H8	117.610	C4	C3	H5	117.610
C4	C3	H6	117.610	H5	C3	H6	114.568
H7	C4	H8	114.568

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: B1B95/6-311G**

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	0.222
2	O	-0.260
3	C	-0.307
4	C	-0.307
5	H	0.163
6	H	0.163
7	H	0.163
8	H	0.163

	x	y	z	Total
	0.000	0.000	-2.764	2.764
CHELPG
AIM
ESP

<r²>	67.005
(<r²>)^1/2	8.186

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: B1B95/6-311G**

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)