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	hartrees
Energy at 0K	-191.885257
Energy at 298.15K	-191.889388
HF Energy	-191.885257
Nuclear repulsion energy	109.145779

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3150	3008	1.20
2	A₁	1978	1889	362.23
3	A₁	1450	1385	5.04
4	A₁	1063	1015	4.28
5	A₁	1026	980	26.88
6	A₁	730	698	5.55
7	A₂	3234	3088	0.00
8	A₂	1172	1119	0.00
9	A₂	651	621	0.00
10	B₁	3246	3100	1.52
11	B₁	1115	1065	0.37
12	B₁	723	690	1.11
13	B₁	310	296	5.26
14	B₂	3148	3007	1.85
15	B₂	1429	1364	8.21
16	B₂	1077	1028	12.43
17	B₂	965	922	122.20
18	B₂	511	488	1.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.409
O2	0.000	0.000	1.678
C3	0.000	0.801	-0.841
C4	0.000	-0.801	-0.841
H5	0.808	0.725	-1.447
H6	-0.808	0.725	-1.447
H7	-0.808	-0.725	-1.447
H8	0.808	-0.725	-1.447

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2687	1.4853	1.4853	2.1507	2.1507	2.1507	2.1507
O2	1.2687		2.6437	2.6437	3.3085	3.3085	3.3085	3.3085
C3	1.4853	2.6437		1.6029	1.0132	1.0132	1.8306	1.8306
C4	1.4853	2.6437	1.6029		1.8306	1.8306	1.0132	1.0132
H5	2.1507	3.3085	1.0132	1.8306		1.6169	2.1720	1.4502
H6	2.1507	3.3085	1.0132	1.8306	1.6169		1.4502	2.1720
H7	2.1507	3.3085	1.8306	1.0132	2.1720	1.4502		1.6169
H8	2.1507	3.3085	1.8306	1.0132	1.4502	2.1720	1.6169

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.345	C1	C3	H5	117.569
C1	C3	H6	117.569	C1	C4	C3	57.345
C1	C4	H7	117.569	C1	C4	H8	117.569
O2	C1	C3	147.345	O2	C1	C4	147.345
C3	C1	C4	65.310	C3	C4	H7	85.678
C3	C4	H8	85.678	C4	C3	H5	85.678
C4	C3	H6	85.678	H5	C3	H6	105.869
H7	C4	H8	105.869

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: wB97X-D/TZVP

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	0.235
2	O	-0.273
3	C	-0.310
4	C	-0.310
5	H	0.165
6	H	0.165
7	H	0.165
8	H	0.165

	x	y	z	Total
	0.000	0.000	-2.999	2.999
CHELPG
AIM
ESP

<r²>	67.184
(<r²>)^1/2	8.197

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: wB97X-D/TZVP

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)