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	hartrees
Energy at 0K	-191.302952
Energy at 298.15K	-191.307157
HF Energy	-190.724352
Nuclear repulsion energy	108.464214

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3170	3001	0.45
2	A₁	2005	1898	230.35
3	A₁	1496	1416	2.71
4	A₁	1089	1031	1.34
5	A₁	1080	1022	25.83
6	A₁	749	709	4.74
7	A₂	3251	3077	0.00
8	A₂	1198	1134	0.00
9	A₂	691	654	0.00
10	B₁	3261	3087	3.51
11	B₁	1143	1082	0.19
12	B₁	737	698	1.11
13	B₁	332	314	4.93
14	B₂	3168	2999	2.12
15	B₂	1473	1394	5.30
16	B₂	1131	1071	23.06
17	B₂	1020	965	105.53
18	B₂	520	492	2.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.409
O2	0.000	0.000	1.681
C3	0.000	0.802	-0.842
C4	0.000	-0.802	-0.842
H5	0.809	0.726	-1.448
H6	-0.809	0.726	-1.448
H7	-0.809	-0.726	-1.448
H8	0.809	-0.726	-1.448

	C1	O2	C3	C4	H5	H6	H7	H8
C1		1.2723	1.4860	1.4860	2.1518	2.1518	2.1518	2.1518
O2	1.2723		2.6479	2.6479	3.3129	3.3129	3.3129	3.3129
C3	1.4860	2.6479		1.6034	1.0133	1.0133	1.8315	1.8315
C4	1.4860	2.6479	1.6034		1.8315	1.8315	1.0133	1.0133
H5	2.1518	3.3129	1.0133	1.8315		1.6172	2.1732	1.4517
H6	2.1518	3.3129	1.0133	1.8315	1.6172		1.4517	2.1732
H7	2.1518	3.3129	1.8315	1.0133	2.1732	1.4517		1.6172
H8	2.1518	3.3129	1.8315	1.0133	1.4517	2.1732	1.6172

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C4	57.353	C1	C3	H5	117.594
C1	C3	H6	117.594	C1	C4	C3	57.353
C1	C4	H7	117.594	C1	C4	H8	117.594
O2	C1	C3	147.353	O2	C1	C4	147.353
C3	C1	C4	65.295	C3	C4	H7	85.709
C3	C4	H8	85.709	C4	C3	H5	85.709
C4	C3	H6	85.709	H5	C3	H6	105.870
H7	C4	H8	105.870

All results from a given calculation for C₃H₄O (Cyclopropanone)

using model chemistry: CCD/6-31G*

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: CCD/6-31G*

States and conformations

All results from a given calculation for C₃H₄O (Cyclopropanone)