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	hartrees
Energy at 0K	-191.935786
Energy at 298.15K	-191.939895
HF Energy	-191.935786
Nuclear repulsion energy	108.768575

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3107	3004	0.42
2	A₁	1941	1877	325.70
3	A₁	1434	1387	5.19
4	A₁	1054	1019	3.59
5	A₁	1014	980	29.16
6	A₁	722	698	4.30
7	A₂	3185	3079	0.00
8	A₂	1162	1124	0.00
9	A₂	638	617	0.00
10	B₁	3198	3091	4.33
11	B₁	1105	1068	0.22
12	B₁	707	684	1.25
13	B₁	317	307	4.08
14	B₂	3107	3003	3.61
15	B₂	1416	1369	6.97
16	B₂	1063	1027	14.09
17	B₂	950	918	123.36
18	B₂	509	492	1.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.385
O2	0.000	0.000	1.580
C3	0.000	0.786	-0.859
C4	0.000	-0.786	-0.859
H5	0.913	1.289	-1.161
H6	-0.913	1.289	-1.161
H7	-0.913	-1.289	-1.161
H8	0.913	-1.289	-1.161

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.1950	1.4711	1.4711	2.2104	2.2104	2.2104	2.2104
O2	1.1950		2.5619	2.5619	3.1636	3.1636	3.1636	3.1636
C3	1.4711	2.5619		1.5730	1.0855	1.0855	2.2880	2.2880
C4	1.4711	2.5619	1.5730		2.2880	2.2880	1.0855	1.0855
H5	2.2104	3.1636	1.0855	2.2880		1.8264	3.1601	2.5788
H6	2.2104	3.1636	1.0855	2.2880	1.8264		2.5788	3.1601
H7	2.2104	3.1636	2.2880	1.0855	3.1601	2.5788		1.8264
H8	2.2104	3.1636	2.2880	1.0855	2.5788	3.1601	1.8264

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.682	C1	C3	H5	118.893
C1	C3	H6	118.893	C1	C4	C3	57.682
C1	C4	H7	118.893	C1	C4	H8	118.893
O2	C1	C3	147.682	O2	C1	C4	147.682
C3	C1	C4	64.635	C3	C4	H7	117.601
C3	C4	H8	117.601	C4	C3	H5	117.601
C4	C3	H6	117.601	H5	C3	H6	114.545
H7	C4	H8	114.545

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: B3LYP/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	0.211
2	O	-0.253
3	C	-0.275
4	C	-0.275
5	H	0.148
6	H	0.148
7	H	0.148
8	H	0.148

	x	y	z	Total
	0.000	0.000	-2.764	2.764
CHELPG
AIM
ESP

<r²>	67.591
(<r²>)^1/2	8.221

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: B3LYP/6-311G**

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)