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	hartrees
Energy at 0K	-190.750681
Energy at 298.15K	-190.754934
HF Energy	-190.750681
Nuclear repulsion energy	107.861750

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3156	3028	1.22
2	A₁	1912	1835	196.55
3	A₁	1468	1409	11.46
4	A₁	1068	1025	60.57
5	A₁	1019	978	0.73
6	A₁	719	690	3.91
7	A₂	3236	3105	0.00
8	A₂	1178	1131	0.00
9	A₂	689	661	0.00
10	B₁	3251	3119	0.50
11	B₁	1136	1090	0.60
12	B₁	730	700	3.64
13	B₁	411	395	2.11
14	B₂	3153	3025	0.38
15	B₂	1453	1394	12.61
16	B₂	1102	1057	0.65
17	B₂	980	940	162.30
18	B₂	518	497	0.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.385
O2	0.000	0.000	1.600
C3	0.000	0.790	-0.868
C4	0.000	-0.790	-0.868
H5	0.918	1.286	-1.173
H6	-0.918	1.286	-1.173
H7	-0.918	-1.286	-1.173
H8	0.918	-1.286	-1.173

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2155	1.4813	1.4813	2.2183	2.2183	2.2183	2.2183
O2	1.2155		2.5919	2.5919	3.1913	3.1913	3.1913	3.1913
C3	1.4813	2.5919		1.5802	1.0866	1.0866	2.2902	2.2902
C4	1.4813	2.5919	1.5802		2.2902	2.2902	1.0866	1.0866
H5	2.2183	3.1913	1.0866	2.2902		1.8354	3.1597	2.5720
H6	2.2183	3.1913	1.0866	2.2902	1.8354		2.5720	3.1597
H7	2.2183	3.1913	2.2902	1.0866	3.1597	2.5720		1.8354
H8	2.2183	3.1913	2.2902	1.0866	2.5720	3.1597	1.8354

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.765	C1	C3	H5	118.706
C1	C3	H6	118.706	C1	C4	C3	57.765
C1	C4	H7	118.706	C1	C4	H8	118.706
O2	C1	C3	147.765	O2	C1	C4	147.765
C3	C1	C4	64.469	C3	C4	H7	117.153
C3	C4	H8	117.153	C4	C3	H5	117.153
C4	C3	H6	117.153	H5	C3	H6	115.251
H7	C4	H8	115.251

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: B3PW91/3-21G*

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	0.336
2	O	-0.433
3	C	-0.473
4	C	-0.473
5	H	0.261
6	H	0.261
7	H	0.261
8	H	0.261

	x	y	z	Total
	0.000	0.000	-2.633	2.633
CHELPG
AIM
ESP

<r²>	68.338
(<r²>)^1/2	8.267

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: B3PW91/3-21G*

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)