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	hartrees
Energy at 0K	-191.871543
Energy at 298.15K	-191.875672
HF Energy	-191.871543
Nuclear repulsion energy	109.367446

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3136	2995	2.63
2	A₁	2005	1915	351.50
3	A₁	1440	1376	4.32
4	A₁	1083	1034	1.06
5	A₁	1016	971	24.45
6	A₁	757	723	5.26
7	A₂	3221	3076	0.00
8	A₂	1165	1113	0.00
9	A₂	624	596	0.00
10	B₁	3232	3087	0.01
11	B₁	1109	1060	0.27
12	B₁	699	668	0.96
13	B₁	314	300	4.26
14	B₂	3136	2995	0.21
15	B₂	1419	1355	7.21
16	B₂	1074	1026	25.63
17	B₂	965	922	103.67
18	B₂	515	492	2.17

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.409
O2	0.000	0.000	1.677
C3	0.000	0.802	-0.840
C4	0.000	-0.802	-0.840
H5	0.808	0.725	-1.446
H6	-0.808	0.725	-1.446
H7	-0.808	-0.725	-1.446
H8	0.808	-0.725	-1.446

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2679	1.4846	1.4846	2.1495	2.1495	2.1495	2.1495
O2	1.2679		2.6421	2.6421	3.3065	3.3065	3.3065	3.3065
C3	1.4846	2.6421		1.6033	1.0127	1.0127	1.8303	1.8303
C4	1.4846	2.6421	1.6033		1.8303	1.8303	1.0127	1.0127
H5	2.1495	3.3065	1.0127	1.8303		1.6160	2.1709	1.4497
H6	2.1495	3.3065	1.0127	1.8303	1.6160		1.4497	2.1709
H7	2.1495	3.3065	1.8303	1.0127	2.1709	1.4497		1.6160
H8	2.1495	3.3065	1.8303	1.0127	1.4497	2.1709	1.6160

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.318	C1	C3	H5	117.545
C1	C3	H6	117.545	C1	C4	C3	57.318
C1	C4	H7	117.545	C1	C4	H8	117.545
O2	C1	C3	147.318	O2	C1	C4	147.318
C3	C1	C4	65.363	C3	C4	H7	85.650
C3	C4	H8	85.650	C4	C3	H5	85.650
C4	C3	H6	85.650	H5	C3	H6	105.846
H7	C4	H8	105.846

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: M06-2X/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	0.289
2	O	-0.250
3	C	-0.307
4	C	-0.307
5	H	0.144
6	H	0.144
7	H	0.144
8	H	0.144

	x	y	z	Total
	0.000	0.000	-2.939	2.939
CHELPG
AIM
ESP

<r²>	67.008
(<r²>)^1/2	8.186

All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: M06-2X/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)