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	hartrees
Energy at 0K	-191.311274
Energy at 298.15K	-191.315455
HF Energy	-190.723679
Nuclear repulsion energy	108.227783

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3161	3010	0.33
2	A₁	1959	1866	235.57
3	A₁	1490	1419	2.06
4	A₁	1078	1026	6.78
5	A₁	1074	1023	19.66
6	A₁	741	705	4.58
7	A₂	3239	3085	0.00
8	A₂	1196	1139	0.00
9	A₂	686	653	0.00
10	B₁	3251	3096	4.36
11	B₁	1137	1083	0.21
12	B₁	734	699	1.03
13	B₁	328	312	5.09
14	B₂	3158	3007	2.94
15	B₂	1469	1399	4.83
16	B₂	1121	1068	20.88
17	B₂	1011	963	107.38
18	B₂	513	488	2.54

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.408
O2	0.000	0.000	1.684
C3	0.000	0.802	-0.843
C4	0.000	-0.802	-0.843
H5	0.809	0.726	-1.450
H6	-0.809	0.726	-1.450
H7	-0.809	-0.726	-1.450
H8	0.809	-0.726	-1.450

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2752	1.4868	1.4868	2.1526	2.1526	2.1526	2.1526
O2	1.2752		2.6513	2.6513	3.3164	3.3164	3.3164	3.3164
C3	1.4868	2.6513		1.6040	1.0134	1.0134	1.8323	1.8323
C4	1.4868	2.6513	1.6040		1.8323	1.8323	1.0134	1.0134
H5	2.1526	3.3164	1.0134	1.8323		1.6173	2.1739	1.4527
H6	2.1526	3.3164	1.0134	1.8323	1.6173		1.4527	2.1739
H7	2.1526	3.3164	1.8323	1.0134	2.1739	1.4527		1.6173
H8	2.1526	3.3164	1.8323	1.0134	1.4527	2.1739	1.6173

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.355	C1	C3	H5	117.603
C1	C3	H6	117.603	C1	C4	C3	57.355
C1	C4	H7	117.603	C1	C4	H8	117.603
O2	C1	C3	147.355	O2	C1	C4	147.355
C3	C1	C4	65.289	C3	C4	H7	85.718
C3	C4	H8	85.718	C4	C3	H5	85.718
C4	C3	H6	85.718	H5	C3	H6	105.868
H7	C4	H8	105.868

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: QCISD/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: QCISD/6-31G*

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)