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	hartrees
Energy at 0K	-191.880742
Energy at 298.15K	-191.884846
HF Energy	-191.880742
Nuclear repulsion energy	108.414562

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3130	2998	0.40
2	A₁	1956	1874	286.75
3	A₁	1461	1400	3.75
4	A₁	1063	1018	1.86
5	A₁	1036	993	25.94
6	A₁	728	698	3.79
7	A₂	3204	3069	0.00
8	A₂	1176	1127	0.00
9	A₂	651	624	0.00
10	B₁	3217	3081	4.64
11	B₁	1116	1069	0.44
12	B₁	713	683	1.42
13	B₁	317	304	5.07
14	B₂	3129	2998	3.61
15	B₂	1444	1383	3.93
16	B₂	1081	1035	18.07
17	B₂	967	926	115.47
18	B₂	505	484	1.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.385
O2	0.000	0.000	1.588
C3	0.000	0.786	-0.862
C4	0.000	-0.786	-0.862
H5	0.914	1.293	-1.166
H6	-0.914	1.293	-1.166
H7	-0.914	-1.293	-1.166
H8	0.914	-1.293	-1.166

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2027	1.4744	1.4744	2.2171	2.2171	2.2171	2.2171
O2	1.2027		2.5732	2.5732	3.1772	3.1772	3.1772	3.1772
C3	1.4744	2.5732		1.5713	1.0889	1.0889	2.2911	2.2911
C4	1.4744	2.5732	1.5713		2.2911	2.2911	1.0889	1.0889
H5	2.2171	3.1772	1.0889	2.2911		1.8284	3.1672	2.5861
H6	2.2171	3.1772	1.0889	2.2911	1.8284		2.5861	3.1672
H7	2.2171	3.1772	2.2911	1.0889	3.1672	2.5861		1.8284
H8	2.2171	3.1772	2.2911	1.0889	2.5861	3.1672	1.8284

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.802	C1	C3	H5	118.985
C1	C3	H6	118.985	C1	C4	C3	57.802
C1	C4	H7	118.985	C1	C4	H8	118.985
O2	C1	C3	147.802	O2	C1	C4	147.802
C3	C1	C4	64.396	C3	C4	H7	117.774
C3	C4	H8	117.774	C4	C3	H5	117.774
C4	C3	H6	117.774	H5	C3	H6	114.191
H7	C4	H8	114.191

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: B3LYPultrafine/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	-0.395
3	C	-0.381
4	C	-0.381
5	H	0.186
6	H	0.186
7	H	0.186
8	H	0.186

	x	y	z	Total
	0.000	0.000	-2.778	2.778
CHELPG
AIM
ESP

<r²>	67.704
(<r²>)^1/2	8.228

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)