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	hartrees
Energy at 0K	-190.661479
Energy at 298.15K	-190.665902
HF Energy	-190.661479
Nuclear repulsion energy	108.619136

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3325	2992	0.03
2	A₁	2058	1852	352.30
3	A₁	1595	1435	3.92
4	A₁	1195	1075	24.41
5	A₁	1121	1008	0.44
6	A₁	765	688	21.43
7	A₂	3420	3077	0.00
8	A₂	1277	1149	0.00
9	A₂	813	732	0.00
10	B₁	3432	3088	15.31
11	B₁	1236	1112	0.57
12	B₁	795	716	3.14
13	B₁	393	353	9.13
14	B₂	3317	2985	6.55
15	B₂	1579	1421	14.13
16	B₂	1249	1124	1.44
17	B₂	1108	997	163.74
18	B₂	533	480	7.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.380
O2	0.000	0.000	1.587
C3	0.000	0.789	-0.861
C4	0.000	-0.789	-0.861
H5	0.902	1.288	-1.160
H6	-0.902	1.288	-1.160
H7	-0.902	-1.288	-1.160
H8	0.902	-1.288	-1.160

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2065	1.4710	1.4710	2.2018	2.2018	2.2018	2.2018
O2	1.2065		2.5721	2.5721	3.1656	3.1656	3.1656	3.1656
C3	1.4710	2.5721		1.5775	1.0738	1.0738	2.2843	2.2843
C4	1.4710	2.5721	1.5775		2.2843	2.2843	1.0738	1.0738
H5	2.2018	3.1656	1.0738	2.2843		1.8044	3.1457	2.5768
H6	2.2018	3.1656	1.0738	2.2843	1.8044		2.5768	3.1457
H7	2.2018	3.1656	2.2843	1.0738	3.1457	2.5768		1.8044
H8	2.2018	3.1656	2.2843	1.0738	2.5768	3.1457	1.8044

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.575	C1	C3	H5	118.986
C1	C3	H6	118.986	C1	C4	C3	57.575
C1	C4	H7	118.986	C1	C4	H8	118.986
O2	C1	C3	147.575	O2	C1	C4	147.575
C3	C1	C4	64.851	C3	C4	H7	117.729
C3	C4	H8	117.729	C4	C3	H5	117.729
C4	C3	H6	117.729	H5	C3	H6	114.321
H7	C4	H8	114.321

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: HF/LANL2DZ

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	0.284
2	O	-0.296
3	C	-0.451
4	C	-0.451
5	H	0.229
6	H	0.229
7	H	0.229
8	H	0.229

	x	y	z	Total
	0.000	0.000	-3.633	3.633
CHELPG
AIM
ESP

<r²>	68.323
(<r²>)^1/2	8.266

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: HF/LANL2DZ

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)