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	hartrees
Energy at 0K	-191.952998
Energy at 298.15K	-191.957102
HF Energy	-191.952998
Nuclear repulsion energy	108.909010

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3113	3006	0.77
2	A₁	1929	1862	347.78
3	A₁	1438	1389	5.02
4	A₁	1052	1016	6.09
5	A₁	1015	980	26.13
6	A₁	718	693	3.81
7	A₂	3190	3080	0.00
8	A₂	1164	1124	0.00
9	A₂	649	627	0.00
10	B₁	3203	3092	2.35
11	B₁	1109	1070	0.23
12	B₁	710	685	1.05
13	B₁	307	296	5.04
14	B₂	3113	3005	2.85
15	B₂	1422	1372	6.68
16	B₂	1068	1031	9.88
17	B₂	957	924	118.05
18	B₂	507	489	1.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.382
O2	0.000	0.000	1.578
C3	0.000	0.786	-0.857
C4	0.000	-0.786	-0.857
H5	0.913	1.288	-1.158
H6	-0.913	1.288	-1.158
H7	-0.913	-1.288	-1.158
H8	0.913	-1.288	-1.158

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.1961	1.4665	1.4665	2.2053	2.2053	2.2053	2.2053
O2	1.1961		2.5580	2.5580	3.1587	3.1587	3.1587	3.1587
C3	1.4665	2.5580		1.5717	1.0847	1.0847	2.2859	2.2859
C4	1.4665	2.5580	1.5717		2.2859	2.2859	1.0847	1.0847
H5	2.2053	3.1587	1.0847	2.2859		1.8257	3.1574	2.5760
H6	2.2053	3.1587	1.0847	2.2859	1.8257		2.5760	3.1574
H7	2.2053	3.1587	2.2859	1.0847	3.1574	2.5760		1.8257
H8	2.2053	3.1587	2.2859	1.0847	2.5760	3.1574	1.8257

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.597	C1	C3	H5	118.875
C1	C3	H6	118.875	C1	C4	C3	57.597
C1	C4	H7	118.875	C1	C4	H8	118.875
O2	C1	C3	147.597	O2	C1	C4	147.597
C3	C1	C4	64.805	C3	C4	H7	117.579
C3	C4	H8	117.579	C4	C3	H5	117.579
C4	C3	H6	117.579	H5	C3	H6	114.622
H7	C4	H8	114.622

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: B3LYP/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	0.222
2	O	-0.261
3	C	-0.295
4	C	-0.295
5	H	0.157
6	H	0.157
7	H	0.157
8	H	0.157

	x	y	z	Total
	0.000	0.000	-2.994	2.994
CHELPG
AIM
ESP

<r²>	67.608
(<r²>)^1/2	8.222

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: B3LYP/TZVP

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)