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	hartrees
Energy at 0K	-191.344467
Energy at 298.15K	-191.348612
HF Energy	-190.735904
Nuclear repulsion energy	108.456675

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3213	3018	1.39
2	A₁	1913	1797	254.51
3	A₁	1486	1395	2.46
4	A₁	1081	1015	15.34
5	A₁	1055	991	17.03
6	A₁	739	694	2.91
7	A₂	3309	3108	0.00
8	A₂	1192	1119	0.00
9	A₂	670	629	0.00
10	B₁	3320	3118	0.77
11	B₁	1134	1065	0.03
12	B₁	725	681	0.91
13	B₁	299	281	4.60
14	B₂	3212	3017	1.19
15	B₂	1466	1377	5.31
16	B₂	1110	1043	14.98
17	B₂	997	936	102.85
18	B₂	513	482	1.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.377
O2	0.000	0.000	1.592
C3	0.000	0.786	-0.861
C4	0.000	-0.786	-0.861
H5	0.913	1.281	-1.164
H6	-0.913	1.281	-1.164
H7	-0.913	-1.281	-1.164
H8	0.913	-1.281	-1.164

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2151	1.4667	1.4667	2.2020	2.2020	2.2020	2.2020
O2	1.2151		2.5761	2.5761	3.1733	3.1733	3.1733	3.1733
C3	1.4667	2.5761		1.5727	1.0819	1.0819	2.2803	2.2803
C4	1.4667	2.5761	1.5727		2.2803	2.2803	1.0819	1.0819
H5	2.2020	3.1733	1.0819	2.2803		1.8268	3.1465	2.5619
H6	2.2020	3.1733	1.0819	2.2803	1.8268		2.5619	3.1465
H7	2.2020	3.1733	2.2803	1.0819	3.1465	2.5619		1.8268
H8	2.2020	3.1733	2.2803	1.0819	2.5619	3.1465	1.8268

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.577	C1	C3	H5	118.767
C1	C3	H6	118.767	C1	C4	C3	57.577
C1	C4	H7	118.767	C1	C4	H8	118.767
O2	C1	C3	147.577	O2	C1	C4	147.577
C3	C1	C4	64.845	C3	C4	H7	117.202
C3	C4	H8	117.202	C4	C3	H5	117.202
C4	C3	H6	117.202	H5	C3	H6	115.184
H7	C4	H8	115.184

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: MP2=FULL/6-31+G**

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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All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: MP2=FULL/6-31+G**

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)