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	hartrees
Energy at 0K	-191.228631
Energy at 298.15K	-191.232912
HF Energy	-190.725601
Nuclear repulsion energy	109.127128

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3246	2999	0.89
2	A₁	2069	1911	291.65
3	A₁	1533	1416	2.29
4	A₁	1121	1036	0.07
5	A₁	1114	1029	25.53
6	A₁	775	716	6.73
7	A₂	3327	3073	0.00
8	A₂	1232	1138	0.00
9	A₂	701	647	0.00
10	B₁	3338	3083	2.85
11	B₁	1175	1086	0.37
12	B₁	752	694	0.96
13	B₁	349	322	6.43
14	B₂	3243	2996	1.97
15	B₂	1509	1394	5.58
16	B₂	1165	1076	21.24
17	B₂	1047	967	116.86
18	B₂	534	494	3.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.383
O2	0.000	0.000	1.578
C3	0.000	-0.780	-0.857
C4	0.000	0.780	-0.857
H5	-0.911	-1.281	-1.159
H6	0.911	-1.281	-1.159
H7	0.911	1.281	-1.159
H8	-0.911	1.281	-1.159

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.1949	1.4650	1.4650	2.2018	2.2018	2.2018	2.2018
O2	1.1949		2.5569	2.5569	3.1559	3.1559	3.1559	3.1559
C3	1.4650	2.5569		1.5601	1.0825	1.0825	2.2737	2.2737
C4	1.4650	2.5569	1.5601		2.2737	2.2737	1.0825	1.0825
H5	2.2018	3.1559	1.0825	2.2737		1.8217	3.1440	2.5625
H6	2.2018	3.1559	1.0825	2.2737	1.8217		2.5625	3.1440
H7	2.2018	3.1559	2.2737	1.0825	3.1440	2.5625		1.8217
H8	2.2018	3.1559	2.2737	1.0825	2.5625	3.1440	1.8217

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.828	C1	C3	H5	118.839
C1	C3	H6	118.839	C1	C4	C3	57.828
C1	C4	H7	118.839	C1	C4	H8	118.839
O2	C1	C3	147.828	O2	C1	C4	147.828
C3	C1	C4	64.345	C3	C4	H7	117.581
C3	C4	H8	117.581	C4	C3	H5	117.581
C4	C3	H6	117.581	H5	C3	H6	114.584
H7	C4	H8	114.584

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: CID/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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All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: CID/6-31G*

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)