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	hartrees
Energy at 0K	-191.565783
Energy at 298.15K	-191.560896
HF Energy	-190.725052
Nuclear repulsion energy	109.699471

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3289	3289	0.19
2	A₁	2152	2152	414.12
3	A₁	1580	1580	0.79
4	A₁	1150	1150	15.93
5	A₁	1138	1138	0.03
6	A₁	788	788	10.79
7	A₂	3367	3367	0.00
8	A₂	1272	1272	0.00
9	A₂	708	708	0.00
10	B₁	3380	3380	7.54
11	B₁	1220	1220	0.60
12	B₁	761	761	0.49
13	B₁	382	382	9.63
14	B₂	3285	3285	6.87
15	B₂	1554	1554	3.96
16	B₂	1199	1199	22.90
17	B₂	1061	1061	128.78
18	B₂	553	553	5.58

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.388
O2	0.000	0.000	1.563
C3	0.000	0.780	-0.853
C4	0.000	-0.780	-0.853
H5	0.909	1.281	-1.150
H6	-0.909	1.281	-1.150
H7	-0.909	-1.281	-1.150
H8	0.909	-1.281	-1.150

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.1748	1.4657	1.4657	2.1987	2.1987	2.1987	2.1987
O2	1.1748		2.5385	2.5385	3.1352	3.1352	3.1352	3.1352
C3	1.4657	2.5385		1.5604	1.0796	1.0796	2.2724	2.2724
C4	1.4657	2.5385	1.5604		2.2724	2.2724	1.0796	1.0796
H5	2.1987	3.1352	1.0796	2.2724		1.8177	3.1416	2.5623
H6	2.1987	3.1352	1.0796	2.2724	1.8177		2.5623	3.1416
H7	2.1987	3.1352	2.2724	1.0796	3.1416	2.5623		1.8177
H8	2.1987	3.1352	2.2724	1.0796	2.5623	3.1416	1.8177

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.840	C1	C3	H5	118.712
C1	C3	H6	118.712	C1	C4	C3	57.840
C1	C4	H7	118.712	C1	C4	H8	118.712
O2	C1	C3	147.840	O2	C1	C4	147.840
C3	C1	C4	64.319	C3	C4	H7	117.648
C3	C4	H8	117.648	C4	C3	H5	117.648
C4	C3	H6	117.648	H5	C3	H6	114.664
H7	C4	H8	114.664

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: CBS-Q

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: CBS-Q

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)