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	hartrees
Energy at 0K	-191.675643
Energy at 298.15K	-191.679780
HF Energy	-191.489306
Nuclear repulsion energy	108.413800

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3166	3005	0.55
2	A₁	1941	1842	253.02
3	A₁	1481	1406	3.00
4	A₁	1071	1017	3.70
5	A₁	1054	1001	24.66
6	A₁	736	698	3.56
7	A₂	3246	3081	0.00
8	A₂	1192	1132	0.00
9	A₂	664	630	0.00
10	B₁	3258	3092	3.35
11	B₁	1129	1072	0.33
12	B₁	724	687	1.26
13	B₁	319	303	4.86
14	B₂	3165	3005	2.55
15	B₂	1464	1389	4.05
16	B₂	1098	1043	17.47
17	B₂	983	933	115.35
18	B₂	509	483	1.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.408
O2	0.000	0.000	1.683
C3	0.000	0.802	-0.843
C4	0.000	-0.802	-0.843
H5	0.808	0.726	-1.449
H6	-0.808	0.726	-1.449
H7	-0.808	-0.726	-1.449
H8	0.808	-0.726	-1.449

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2743	1.4866	1.4866	2.1520	2.1520	2.1520	2.1520
O2	1.2743		2.6503	2.6503	3.3150	3.3150	3.3150	3.3150
C3	1.4866	2.6503		1.6044	1.0129	1.0129	1.8321	1.8321
C4	1.4866	2.6503	1.6044		1.8321	1.8321	1.0129	1.0129
H5	2.1520	3.3150	1.0129	1.8321		1.6164	2.1732	1.4526
H6	2.1520	3.3150	1.0129	1.8321	1.6164		1.4526	2.1732
H7	2.1520	3.3150	1.8321	1.0129	2.1732	1.4526		1.6164
H8	2.1520	3.3150	1.8321	1.0129	1.4526	2.1732	1.6164

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.343	C1	C3	H5	117.590
C1	C3	H6	117.590	C1	C4	C3	57.343
C1	C4	H7	117.590	C1	C4	H8	117.590
O2	C1	C3	147.343	O2	C1	C4	147.343
C3	C1	C4	65.313	C3	C4	H7	85.703
C3	C4	H8	85.703	C4	C3	H5	85.703
C4	C3	H6	85.703	H5	C3	H6	105.859
H7	C4	H8	105.859

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: B2PLYP/6-31G*

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	0.416
2	O	-0.385
3	C	-0.406
4	C	-0.406
5	H	0.195
6	H	0.195
7	H	0.195
8	H	0.195

	x	y	z	Total
	0.000	0.000	-2.770	2.770
CHELPG
AIM
ESP

<r²>	67.784
(<r²>)^1/2	8.233

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: B2PLYP/6-31G*

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)