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	hartrees
Energy at 0K	-191.891461
Energy at 298.15K	-191.895429
HF Energy	-191.891461
Nuclear repulsion energy	108.046774

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3035	3026	0.21
2	A₁	1840	1834	306.99
3	A₁	1393	1389	4.47
4	A₁	1010	1007	8.46
5	A₁	968	965	20.70
6	A₁	683	681	1.51
7	A₂	3107	3097	0.00
8	A₂	1128	1125	0.00
9	A₂	620	618	0.00
10	B₁	3120	3110	4.12
11	B₁	1068	1065	0.03
12	B₁	683	681	1.03
13	B₁	280	279	3.23
14	B₂	3035	3026	4.67
15	B₂	1382	1378	4.46
16	B₂	1020	1016	11.22
17	B₂	906	903	111.34
18	B₂	488	486	0.42

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.384
O2	0.000	0.000	1.591
C3	0.000	0.794	-0.863
C4	0.000	-0.794	-0.863
H5	0.916	1.298	-1.169
H6	-0.916	1.298	-1.169
H7	-0.916	-1.298	-1.169
H8	0.916	-1.298	-1.169

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2070	1.4780	1.4780	2.2214	2.2214	2.2214	2.2214
O2	1.2070		2.5790	2.5790	3.1843	3.1843	3.1843	3.1843
C3	1.4780	2.5790		1.5871	1.0896	1.0896	2.3038	2.3038
C4	1.4780	2.5790	1.5871		2.3038	2.3038	1.0896	1.0896
H5	2.2214	3.1843	1.0896	2.3038		1.8323	3.1775	2.5960
H6	2.2214	3.1843	1.0896	2.3038	1.8323		2.5960	3.1775
H7	2.2214	3.1843	2.3038	1.0896	3.1775	2.5960		1.8323
H8	2.2214	3.1843	2.3038	1.0896	2.5960	3.1775	1.8323

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.526	C1	C3	H5	119.031
C1	C3	H6	119.031	C1	C4	C3	57.526
C1	C4	H7	119.031	C1	C4	H8	119.031
O2	C1	C3	147.526	O2	C1	C4	147.526
C3	C1	C4	64.948	C3	C4	H7	117.578
C3	C4	H8	117.578	C4	C3	H5	117.578
C4	C3	H6	117.578	H5	C3	H6	114.449
H7	C4	H8	114.449

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: BLYP/cc-pVTZ

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	0.225
2	O	-0.208
3	C	-0.222
4	C	-0.222
5	H	0.107
6	H	0.107
7	H	0.107
8	H	0.107

	x	y	z	Total
	0.000	0.000	-2.766	2.766
CHELPG
AIM
ESP

<r²>	68.451
(<r²>)^1/2	8.274

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: BLYP/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)