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	hartrees
Energy at 0K	-191.846023
Energy at 298.15K	-191.850146
HF Energy	-191.846023
Nuclear repulsion energy	108.864764

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3155	3003	1.73
2	A₁	1978	1883	362.88
3	A₁	1445	1375	5.21
4	A₁	1082	1030	1.81
5	A₁	1030	981	32.57
6	A₁	745	709	5.53
7	A₂	3240	3084	0.00
8	A₂	1170	1114	0.00
9	A₂	641	610	0.00
10	B₁	3252	3095	0.71
11	B₁	1113	1059	0.41
12	B₁	710	676	1.86
13	B₁	314	299	5.49
14	B₂	3155	3003	1.96
15	B₂	1423	1354	8.17
16	B₂	1086	1034	19.11
17	B₂	980	933	107.63
18	B₂	508	484	1.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.381
O2	0.000	0.000	1.581
C3	0.000	0.783	-0.858
C4	0.000	-0.783	-0.858
H5	0.914	1.287	-1.159
H6	-0.914	1.287	-1.159
H7	-0.914	-1.287	-1.159
H8	0.914	-1.287	-1.159

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2000	1.4654	1.4654	2.2054	2.2054	2.2054	2.2054
O2	1.2000		2.5614	2.5614	3.1623	3.1623	3.1623	3.1623
C3	1.4654	2.5614		1.5651	1.0866	1.0866	2.2822	2.2822
C4	1.4654	2.5614	1.5651		2.2822	2.2822	1.0866	1.0866
H5	2.2054	3.1623	1.0866	2.2822		1.8285	3.1568	2.5733
H6	2.2054	3.1623	1.0866	2.2822	1.8285		2.5733	3.1568
H7	2.2054	3.1623	2.2822	1.0866	3.1568	2.5733		1.8285
H8	2.2054	3.1623	2.2822	1.0866	2.5733	3.1568	1.8285

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.723	C1	C3	H5	118.827
C1	C3	H6	118.827	C1	C4	C3	57.723
C1	C4	H7	118.827	C1	C4	H8	118.827
O2	C1	C3	147.723	O2	C1	C4	147.723
C3	C1	C4	64.554	C3	C4	H7	117.639
C3	C4	H8	117.639	C4	C3	H5	117.639
C4	C3	H6	117.639	H5	C3	H6	114.570
H7	C4	H8	114.570

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: mPW1PW91/6-31+G**

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	0.122
2	O	-0.433
3	C	-0.244
4	C	-0.244
5	H	0.200
6	H	0.200
7	H	0.200
8	H	0.200

	x	y	z	Total
	0.000	0.000	-3.114	3.114
CHELPG
AIM
ESP

<r²>	67.551
(<r²>)^1/2	8.219

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: mPW1PW91/6-31+G**

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)