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	hartrees
Energy at 0K	-191.570621
Energy at 298.15K	-191.574751
HF Energy	-190.794914
Nuclear repulsion energy	109.213821

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3188	3027	1.39
2	A₁	1931	1834	248.19
3	A₁	1453	1380	4.11
4	A₁	1074	1020	4.95
5	A₁	1015	964	26.57
6	A₁	746	708	2.14
7	A₂	3266	3101	0.00
8	A₂	1179	1119	0.00
9	A₂	623	592	0.00
10	B₁	3278	3112	0.12
11	B₁	1113	1056	0.01
12	B₁	710	674	0.74
13	B₁	311	295	3.16
14	B₂	3185	3024	0.41
15	B₂	1434	1361	6.36
16	B₂	1076	1022	20.39
17	B₂	971	922	102.89
18	B₂	519	493	1.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.407
O2	0.000	0.000	1.680
C3	0.000	0.803	-0.841
C4	0.000	-0.803	-0.841
H5	0.807	0.726	-1.447
H6	-0.807	0.726	-1.447
H7	-0.807	-0.726	-1.447
H8	0.807	-0.726	-1.447

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2725	1.4847	1.4847	2.1486	2.1486	2.1486	2.1486
O2	1.2725		2.6461	2.6461	3.3098	3.3098	3.3098	3.3098
C3	1.4847	2.6461		1.6055	1.0121	1.0121	1.8314	1.8314
C4	1.4847	2.6461	1.6055		1.8314	1.8314	1.0121	1.0121
H5	2.1486	3.3098	1.0121	1.8314		1.6149	2.1710	1.4510
H6	2.1486	3.3098	1.0121	1.8314	1.6149		1.4510	2.1710
H7	2.1486	3.3098	1.8314	1.0121	2.1710	1.4510		1.6149
H8	2.1486	3.3098	1.8314	1.0121	1.4510	2.1710	1.6149

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.268	C1	C3	H5	117.504
C1	C3	H6	117.504	C1	C4	C3	57.268
C1	C4	H7	117.504	C1	C4	H8	117.504
O2	C1	C3	147.268	O2	C1	C4	147.268
C3	C1	C4	65.464	C3	C4	H7	85.622
C3	C4	H8	85.622	C4	C3	H5	85.622
C4	C3	H6	85.622	H5	C3	H6	105.843
H7	C4	H8	105.843

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: MP2=FULL/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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All results from a given calculation for C3H4O (Cyclopropanone)

using model chemistry: MP2=FULL/cc-pVTZ

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)