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	hartrees
Energy at 0K	-191.849393
Energy at 298.15K	-191.853515
HF Energy	-191.849393
Nuclear repulsion energy	107.078796

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3146	3024	0.29
2	A₁	1864	1792	282.27
3	A₁	1453	1396	8.76
4	A₁	1061	1020	45.19
5	A₁	1037	996	3.31
6	A₁	696	669	6.70
7	A₂	3238	3113	0.00
8	A₂	1161	1116	0.00
9	A₂	709	681	0.00
10	B₁	3253	3127	10.92
11	B₁	1112	1069	0.77
12	B₁	719	691	5.76
13	B₁	322	309	3.94
14	B₂	3141	3019	3.23
15	B₂	1441	1385	14.92
16	B₂	1105	1062	0.10
17	B₂	991	952	148.90
18	B₂	491	472	1.45

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.382
O2	0.000	0.000	1.612
C3	0.000	0.799	-0.873
C4	0.000	-0.799	-0.873
H5	0.914	1.304	-1.179
H6	-0.914	1.304	-1.179
H7	-0.914	-1.304	-1.179
H8	0.914	-1.304	-1.179

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2302	1.4880	1.4880	2.2298	2.2298	2.2298	2.2298
O2	1.2302		2.6107	2.6107	3.2133	3.2133	3.2133	3.2133
C3	1.4880	2.6107		1.5979	1.0882	1.0882	2.3133	2.3133
C4	1.4880	2.6107	1.5979		2.3133	2.3133	1.0882	1.0882
H5	2.2298	3.2133	1.0882	2.3133		1.8283	3.1850	2.6080
H6	2.2298	3.2133	1.0882	2.3133	1.8283		2.6080	3.1850
H7	2.2298	3.2133	2.3133	1.0882	3.1850	2.6080		1.8283
H8	2.2298	3.2133	2.3133	1.0882	2.6080	3.1850	1.8283

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.525	C1	C3	H5	119.080
C1	C3	H6	119.080	C1	C4	C3	57.525
C1	C4	H7	119.080	C1	C4	H8	119.080
O2	C1	C3	147.525	O2	C1	C4	147.525
C3	C1	C4	64.950	C3	C4	H7	117.655
C3	C4	H8	117.655	C4	C3	H5	117.655
C4	C3	H6	117.655	H5	C3	H6	114.302
H7	C4	H8	114.302

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: B3LYP/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	0.155
2	O	-0.173
3	C	-0.481
4	C	-0.481
5	H	0.245
6	H	0.245
7	H	0.245
8	H	0.245

	x	y	z	Total
	0.000	0.000	-3.232	3.232
CHELPG
AIM
ESP

<r²>	69.398
(<r²>)^1/2	8.331

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: B3LYP/LANL2DZ

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)