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	hartrees
Energy at 0K	-191.867993
Energy at 298.15K	-191.872126
HF Energy	-191.867993
Nuclear repulsion energy	109.003497

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3140	3003	0.74
2	A₁	1987	1900	342.85
3	A₁	1445	1382	5.27
4	A₁	1064	1017	2.67
5	A₁	1023	978	30.01
6	A₁	734	702	6.22
7	A₂	3224	3084	0.00
8	A₂	1170	1119	0.00
9	A₂	639	611	0.00
10	B₁	3236	3095	2.89
11	B₁	1111	1062	0.31
12	B₁	718	687	1.28
13	B₁	320	306	4.29
14	B₂	3138	3002	2.72
15	B₂	1422	1360	8.67
16	B₂	1071	1025	17.66
17	B₂	957	916	127.23
18	B₂	512	490	1.37

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.410
O2	0.000	0.000	1.678
C3	0.000	0.802	-0.841
C4	0.000	-0.802	-0.841
H5	0.809	0.725	-1.447
H6	-0.809	0.725	-1.447
H7	-0.809	-0.725	-1.447
H8	0.809	-0.725	-1.447

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2687	1.4859	1.4859	2.1514	2.1514	2.1514	2.1514
O2	1.2687		2.6442	2.6442	3.3092	3.3092	3.3092	3.3092
C3	1.4859	2.6442		1.6032	1.0134	1.0134	1.8308	1.8308
C4	1.4859	2.6442	1.6032		1.8308	1.8308	1.0134	1.0134
H5	2.1514	3.3092	1.0134	1.8308		1.6171	2.1720	1.4500
H6	2.1514	3.3092	1.0134	1.8308	1.6171		1.4500	2.1720
H7	2.1514	3.3092	1.8308	1.0134	2.1720	1.4500		1.6171
H8	2.1514	3.3092	1.8308	1.0134	1.4500	2.1720	1.6171

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.351	C1	C3	H5	117.569
C1	C3	H6	117.569	C1	C4	C3	57.351
C1	C4	H7	117.569	C1	C4	H8	117.569
O2	C1	C3	147.351	O2	C1	C4	147.351
C3	C1	C4	65.298	C3	C4	H7	85.665
C3	C4	H8	85.665	C4	C3	H5	85.665
C4	C3	H6	85.665	H5	C3	H6	105.851
H7	C4	H8	105.851

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: wB97X-D/6-311G**

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	0.229
2	O	-0.264
3	C	-0.307
4	C	-0.307
5	H	0.162
6	H	0.162
7	H	0.162
8	H	0.162

	x	y	z	Total
	0.000	0.000	-2.818	2.818
CHELPG
AIM
ESP

<r²>	67.234
(<r²>)^1/2	8.200

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: wB97X-D/6-311G**

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)