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	hartrees
Energy at 0K	-191.841401
Energy at 298.15K	-191.845315
HF Energy	-191.841401
Nuclear repulsion energy	107.374736

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3034	3029	0.35
2	A₁	1824	1821	332.94
3	A₁	1377	1375	3.89
4	A₁	1007	1005	3.64
5	A₁	953	951	21.40
6	A₁	676	675	1.55
7	A₂	3116	3110	0.00
8	A₂	1111	1109	0.00
9	A₂	612	611	0.00
10	B₁	3128	3122	4.00
11	B₁	1051	1049	0.00
12	B₁	672	671	0.97
13	B₁	265	265	3.82
14	B₂	3034	3028	4.59
15	B₂	1364	1362	5.57
16	B₂	1001	999	17.74
17	B₂	894	892	87.16
18	B₂	477	476	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.385
O2	0.000	0.000	1.601
C3	0.000	0.798	-0.868
C4	0.000	-0.798	-0.868
H5	0.924	1.307	-1.175
H6	-0.924	1.307	-1.175
H7	-0.924	-1.307	-1.175
H8	0.924	-1.307	-1.175

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2154	1.4856	1.4856	2.2350	2.2350	2.2350	2.2350
O2	1.2154		2.5943	2.5943	3.2039	3.2039	3.2039	3.2039
C3	1.4856	2.5943		1.5959	1.0987	1.0987	2.3190	2.3190
C4	1.4856	2.5943	1.5959		2.3190	2.3190	1.0987	1.0987
H5	2.2350	3.2039	1.0987	2.3190		1.8485	3.2011	2.6135
H6	2.2350	3.2039	1.0987	2.3190	1.8485		2.6135	3.2011
H7	2.2350	3.2039	2.3190	1.0987	3.2011	2.6135		1.8485
H8	2.2350	3.2039	2.3190	1.0987	2.6135	3.2011	1.8485

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.514	C1	C3	H5	118.965
C1	C3	H6	118.965	C1	C4	C3	57.514
C1	C4	H7	118.965	C1	C4	H8	118.965
O2	C1	C3	147.514	O2	C1	C4	147.514
C3	C1	C4	64.972	C3	C4	H7	117.586
C3	C4	H8	117.586	C4	C3	H5	117.586
C4	C3	H6	117.586	H5	C3	H6	114.528
H7	C4	H8	114.528

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: BLYP/aug-cc-pVDZ

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	0.426
2	O	-0.375
3	C	1.208
4	C	1.208
5	H	-0.617
6	H	-0.617
7	H	-0.617
8	H	-0.617

<r²>	69.346
(<r²>)^1/2	8.327

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: BLYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)