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	hartrees
Energy at 0K	-189.354486
Energy at 298.15K	-189.358576
HF Energy	-189.354486
Nuclear repulsion energy	106.695876

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3396	2999	11.19
2	A₁	2061	1820	50.31
3	A₁	1577	1393	2.58
4	A₁	1220	1077	4.41
5	A₁	1136	1003	5.16
6	A₁	826	730	1.05
7	A₂	3539	3125	0.00
8	A₂	1265	1117	0.00
9	A₂	744	657	0.00
10	B₁	3545	3130	4.07
11	B₁	1164	1028	0.37
12	B₁	790	698	1.62
13	B₁	362	320	0.80
14	B₂	3391	2995	12.80
15	B₂	1564	1381	2.27
16	B₂	1213	1071	3.76
17	B₂	1027	907	72.75
18	B₂	503	444	6.29

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.396
O2	0.000	0.000	1.634
C3	0.000	0.781	-0.887
C4	0.000	-0.781	-0.887
H5	0.918	1.288	-1.201
H6	-0.918	1.288	-1.201
H7	-0.918	-1.288	-1.201
H8	0.918	-1.288	-1.201

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2377	1.5015	1.5015	2.2479	2.2479	2.2479	2.2479
O2	1.2377		2.6384	2.6384	3.2463	3.2463	3.2463	3.2463
C3	1.5015	2.6384		1.5612	1.0953	1.0953	2.2851	2.2851
C4	1.5015	2.6384	1.5612		2.2851	2.2851	1.0953	1.0953
H5	2.2479	3.2463	1.0953	2.2851		1.8365	3.1638	2.5762
H6	2.2479	3.2463	1.0953	2.2851	1.8365		2.5762	3.1638
H7	2.2479	3.2463	2.2851	1.0953	3.1638	2.5762		1.8365
H8	2.2479	3.2463	2.2851	1.0953	2.5762	3.1638	1.8365

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	58.677	C1	C3	H5	119.085
C1	C3	H6	119.085	C1	C4	C3	58.677
C1	C4	H7	119.085	C1	C4	H8	119.085
O2	C1	C3	148.677	O2	C1	C4	148.677
C3	C1	C4	62.645	C3	C4	H7	117.606
C3	C4	H8	117.606	C4	C3	H5	117.606
C4	C3	H6	117.606	H5	C3	H6	113.938
H7	C4	H8	113.938

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: B1B95/STO-3G

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	0.149
2	O	-0.150
3	C	-0.192
4	C	-0.192
5	H	0.096
6	H	0.096
7	H	0.096
8	H	0.096

	x	y	z	Total
	0.000	0.000	-1.568	1.568
CHELPG
AIM
ESP

<r²>	68.624
(<r²>)^1/2	8.284

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: B1B95/STO-3G

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)